Home Other Building Blocks 100-53-8
100-53-8,MFCD00004867
Catalog No.:AA00004L
Benzenemethanethiol | 100-53-8
Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
96.0%
1 week  
$94.00
- +
100g
98%
1 week  
$145.00
- +
500g
98%
1 week  
$250.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00004L
Chemical Name:
Benzenemethanethiol
CAS Number:
100-53-8
Molecular Formula:
C7H8S
Molecular Weight:
124.2034
MDL Number:
MFCD00004867
IUPAC Name:
phenylmethanethiol
InChI:
InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
UENWRTRMUIOCKN-UHFFFAOYSA-N
SMILES:
SCc1ccccc1
EC Number:
202-862-5
UNII:
OS34A21OBZ
FEMA Number:
2147
Properties
Computed Properties
 
Complexity:
55.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.035g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
124.201g/mol
Monoisotopic Mass:
124.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
BENZYL MERCAPTAN 
Benzenemethanethiol 
alpha-Mercaptotoluene 
Benzyl mercaptan, purum, >=99.0% (GC) 
DB-003602 
TR-032988 
FT-0622824 
113778-EP2274983A1 
113778-EP2298772A1 
I01-0779 
Q-100020 
F0001-0020 
InChI=1/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H 
alpha-Toluolthiol 
alpha-Toluenethiol; Benzenemethanethiol; Thiobenzyl alcohol; Toluene-a-thiol 
Benzyl mercaptan, United States Pharmacopeia (USP) Reference Standard 
Mercaptomethylpolystyrene (1% DVB, 100-200mesh, 0.8-1.3 mmol/g) 
Mercaptomethylpolystyrene (1% DVB, 200-400mesh, 0.8-1.3 mmol/g) 
16528-58-8 
5374-12-9 
Benzyl mercaptan, polymer supported, 1% cross-linked, 100-200 mesh, 2.0-4.0 mmol/g on poly(styrene-divinylbenzene) 
|A-Toluenethiol 
toluen-alpha-thiol 
Benzenemethanethiol- 
Benzylhydrosulfide 
(Mercaptomethyl)polystyrene 
D00GYX 
C7H8S 
C7-H8-S 
CID7509 
AR-1H9696 
c0895 
Benzyl mercaptan, 99% - 100G 100g 
T0287 
10102-94-0 
Phenylmethyl mercaptan 
Benzylmercaptan 
benzyl thiol 
Methanethiol, phenyl- 
alpha-Tolyl mercaptan 
phenyl-methanethiol 
.alpha.-Toluenethiol 
Phenylmethanethiol 
USAF ex-1509 
a-toluenethiol 
Toluene, alpha-mercapto- 
UNII-OS34A21OBZ 
NSC 41897 
benzyl-MERCAPTAN 
.alpha.-Toluolthiol 
FEMA No. 2147 
CCRIS 9101 
HSDB 2105 
100-53-8 
.alpha.-Mercaptotoluene 
.alpha.-Tolyl mercaptan 
Benzyl mercaptan, 99% 
EINECS 202-862-5 
MFCD00004867 
BRN 0605864 
OS34A21OBZ 
AI3-22955 
DODEOYL BENZYL MERCAPTAN 
CHEMBL1224557 
Benzylthiol 
UENWRTRMUIOCKN-UHFFFAOYSA-N 
MFCD01863867 
benzylsulfane 
a-Tolyl mercaptan 
alpha -toluolthiol 
phenyl methanethiol 
BnSH 
alpha -toluenethiol 
(Thiomethyl)benzene 
Thiol, polymer-bound 
alpha-Toluenethiol 
alpha -mercaptotoluene 
PubChem6835 
a-Toluenethiol, 8CI 
alpha-Mercapto-Toluene 
alpha -tolyl mercaptan 
Usaf ek-1509 
AC1Q7GOO 
Benzenemethanethiol, 9CI 
phenyl-[35S]methanethiol 
Alpha-Toluenethiol, 99% 
Thiobenzyl alcohol 
DSSTox_CID_6664 
SCHEMBL205 
WLN: SH1R 
AC1L1OX7 
ACMC-1C3L0 
DSSTox_RID_78178 
DSSTox_GSID_26664 
Mercaptomethyl, polymer-bound 
4-06-00-02632 (Beilstein Handbook Reference) 
KSC176I3L 
Benzyl hydrosulfide 
Benzyl mercaptan, 99%, FG 
DTXSID6026664 
CTK0H6435 
FEMA 2147 
KS-00000WCB 
CHEBI:137674 
EBD43071 
NSC41897 
ZINC3873647 
Tox21_200129 
(Mercaptomethyl)benzene 
ANW-14314 
BDBM50325566 
Benzyl mercaptan, analytical standard 
MFCD00801588 
NSC-41897 
NSC229567 
STL299685 
AKOS000120383 
LS-2580 
MCULE-9652039678 
Toluene-alpha-thiol 
NSC-229567 
RP19608 
RTR-032988 
TRA0001998 
NCGC00248534-01 
NCGC00257683-01 
AN-24554 
CAS-100-53-8 
CJ-11004 
SC-00041 
Literature

Title: Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold.

Journal: Journal of medicinal chemistry 20120308

Title: Structure-activity relationships of 2-benzylsulfanylbenzothiazoles: synthesis and selective antimycobacterial properties.

Journal: Medicinal chemistry (Shariqah (United Arab Emirates)) 20120301

Title: Structure-activity relationship study of pyridazine derivatives as glutamate transporter EAAT2 activators.

Journal: Bioorganic & medicinal chemistry letters 20111001

Title: Novel and promising compounds to treat Cryptosporidium parvum infections.

Journal: Parasitology research 20110901

Title: Bis{2-[4-(methyl-sulfan-yl)phen-yl]-1H-benzimidazol-3-ium} tetra-bromido-cadmate(II) ethanol monosolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

Title: Bis{2-[4-(methyl-sulfan-yl)phen-yl]-1H-benzimidazol-3-ium} tetra-bromido-cuprate(II) dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: 2-[2-(Benzyl-sulfan-yl)phen-yl]-1,1,3,3-tetra-methyl-guanidine.

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: 4-[2-(Benzyl-sulfan-yl)acet-yl]-3,4-dihydro-quinoxalin-2(1H)-one.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

Title: 2-(4-Methyl-sulfanylphen-yl)-1H-benzimidazol-3-ium bromide.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: Mono- and bi-functional arenethiols as surfactants for gold nanoparticles: synthesis and characterization.

Journal: Nanoscale research letters 20110101

Title: 2-Benzyl-sulfanyl-3-(2,2,2-trifluoro-ethoxy)pyridine.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: Stable, dispersible surface-enhanced Raman scattering substrate capable of detecting molecules bound to silica-immobilized ligands.

Journal: Applied spectroscopy 20101101

Title: Analysis, occurrence, and potential sensory significance of five polyfunctional mercaptans in white wines.

Journal: Journal of agricultural and food chemistry 20100922

Title: S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.

Journal: Bioorganic & medicinal chemistry letters 20100901

Title: Self-assembled monolayers of benzylmercaptan and para-cyanobenzylmercaptan on gold: surface infrared spectroscopic characterization.

Journal: Physical chemistry chemical physics : PCCP 20100507

Title: Self-assembled monolayers of benzenethiol and benzenemethanethiol on Au(111): Influence of an alkyl spacer on the structure and thermal desorption behavior.

Journal: Journal of colloid and interface science 20100215

Title: [μ-Bis(diphenyl-arsino)methane-1:2κAs:As']nona-carbonyl-1κC,2κC,3κC-[diphen-yl(phenyl-sulfanylmeth-yl)phosphine-3κP]-triangulo-triruthenium(0) chloro-form hemisolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: Pb-induced cellular defense system in the root meristematic cells of Allium sativum L.

Journal: BMC plant biology 20100101

Title: Production of functionalized polyhydroxyalkanoates by genetically modified Methylobacterium extorquens strains.

Journal: Microbial cell factories 20100101

Title: GABA analogues derived from 4-aminocyclopent-1-enecarboxylic acid.

Journal: Neurochemical research 20091001

Title: How thioredoxin dissociates its mixed disulfide.

Journal: PLoS computational biology 20090801

Title: Optimisation of chemical protein cleavage for erythropoietin semi-synthesis using native chemical ligation.

Journal: Organic & biomolecular chemistry 20081107

Title: Self-assembled monolayers of benzylmercaptan and p-cyanobenzylmercaptan on Au(111) surfaces: structural and spectroscopic characterization.

Journal: Langmuir : the ACS journal of surfaces and colloids 20080603

Title: Preparation and electrochemical and optical properties of unsymmetrically substituted phthalocyanines with one or two trithiole rings and related symmetric derivatives.

Journal: Inorganic chemistry 20080505

Title: Photochemical reactions of 4-thiouridine disulfide and 4-benzylthiouridine--the involvement of the 4-pyrimidinylthiyl radical.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20080201

Title: Oligomeric proanthocyanidins from mangosteen pericarps.

Journal: Journal of agricultural and food chemistry 20070919

Title: Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore.

Journal: Journal of medicinal chemistry 20070809

Title: Isatin sulfonamide analogs containing a Michael addition acceptor: a new class of caspase 3/7 inhibitors.

Journal: Journal of medicinal chemistry 20070726

Title: Effect of cysteine and cystine addition on sensory profile and potent odorants of extruded potato snacks.

Journal: Journal of agricultural and food chemistry 20070711

Title: Hybrid molecules of estrone: new compounds with potential antibacterial, antifungal, and antiproliferative activities.

Journal: Bioorganic & medicinal chemistry 20070415

Title: Quantitative structure-activity relationship study of benzylsulfanyl imidazoles as cytokine release inhibitors.

Journal: Journal of enzyme inhibition and medicinal chemistry 20070201

Title: New facile tandem route to oxo- and thioxo[1,2,4]triazolo[1,5-a]pyridinium salts.

Journal: The Journal of organic chemistry 20060929

Title: Studies on the mechanism of action of prekinamycin, a member of the diazoparaquinone family of natural products: evidence for both sp2 radical and orthoquinonemethide intermediates.

Journal: Journal of the American Chemical Society 20060927

Title: Control of optically active structure of thioether-phthalocyanine aggregates by chiral Pd(II)-BINAP complexes in toluene and at the toluene/water interface.

Journal: Chirality 20060801

Title: Carbosilane dendrimers bearing globotriaoses: syntheses of globotrioasyl derivative and introduction into carbosilane dendrimers.

Journal: Biomacromolecules 20060801

Title: Convenient synthesis of a sialylglycopeptide-thioester having an intact and homogeneous complex-type disialyl-oligosaccharide.

Journal: Carbohydrate research 20060724

Title: Relaxation dynamics and transient behavior of small arenethiol passivated gold nanoparticles.

Journal: The journal of physical chemistry. B 20060330

Title: A surprisingly stable S-nitrosothiol complex.

Journal: Journal of the American Chemical Society 20060301

Title: Mononuclear to polynuclear transition induced by ligand coordination: synthesis, X-ray structure, and properties of mono-, di-, and polynuclear copper(II) complexes of pyridyl-containing azo ligands.

Journal: Inorganic chemistry 20060123

Title: The application of phenylmethanethiol and benzenethiol derivatives as odorless organosulfur reagents in the synthesis of thiosugars and thioglycosides.

Journal: Carbohydrate research 20051031

Title: Evidence for the formation of Michael adducts from reactions of (E,E)-muconaldehyde with glutathione and other thiols.

Journal: Bioorganic chemistry 20051001

Title: Sugar-derived 2-S-substituted-2H-pyran-3(6H)-ones: synthesis and reactivity.

Journal: Carbohydrate research 20050926

Title: Identification of potent odorants formed during the preparation of extruded potato snacks.

Journal: Journal of agricultural and food chemistry 20050810

Title: Design and synthesis of new 2-substituted-5-(2-benzylthiophenyl)-1,3,4-oxadiazoles as benzodiazepine receptor agonists.

Journal: Bioorganic & medicinal chemistry letters 20050615

Title: Synthesis and pharmacological evaluation of benzamide derivatives as selective 5-HT(4) receptor agonists.

Journal: Bioorganic & medicinal chemistry 20050502

Title: Parallel solution-phase synthesis of a 2,6,8,9-tetrasubstituted purine library via a sulfur intermediate.

Journal: Journal of combinatorial chemistry 20050101

Title: Synthesis and antimycobacterial activity of pyridylmethylsulfanyl and naphthylmethylsulfanyl derivatives of benzazoles, 1, 2, 4-triazole, and pyridine-2-carbothioamide/-2-carbonitrile.

Journal: Archiv der Pharmazie 20041001

Title: Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance.

Journal: Journal of medicinal chemistry 20040311

Title: Functionalization of cyclodextrins via reactions of 2,3-anhydrocyclodextrins.

Journal: The Journal of organic chemistry 20031128

Title: Monomeric, oligomeric, and polymeric flavan-3-ol composition of wines and grapes from Vitis vinifera L. Cv. Graciano, Tempranillo, and Cabernet Sauvignon.

Journal: Journal of agricultural and food chemistry 20031022

Title: Generation of thiols by biotransformation of cysteine-aldehyde conjugates with baker's yeast.

Journal: Journal of agricultural and food chemistry 20030604

Title: Contribution of benzenemethanethiol to smoky aroma of certain Vitis vinifera L. wines.

Journal: Journal of agricultural and food chemistry 20030226

Title: Synthesis of glycosides of 3-deoxy-4-thiopentopyranosid-2-uloses and their reduction products: 3-deoxy-4-thiopentopyranosides.

Journal: Carbohydrate research 20021119

Title: Volatile components in defensive spray of the hooded skunk, Mephitis macroura.

Journal: Journal of chemical ecology 20020901

Title: Characterisation of polymeric surfactants that are glutathione transferase mimics.

Journal: Toxicology 20011130

Title: Total synthesis of (-)-neplanocin a by using lithium thiolate-initiated Michael-aldol tandem cyclization reaction.

Journal: The Journal of organic chemistry 20011130

Title: A novel palladium-mediated coupling approach to 2,3-disubstituted benzo(b)thiophenes and its application to the synthesis of tubulin binding agents.

Journal: Organic letters 20010308

Title: Determination of monobromobimane derivatives of phenylmercapturic and benzylmercapturic acids in urine by high-performance liquid chromatography and fluorimetry.

Journal: Journal of chromatography. B, Biomedical sciences and applications 20010225

Title: Fungal cleavage of thioether bond found in Yperite.

Journal: FEBS letters 19970728

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: