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103-72-0,MFCD00004798
Catalog No.:AA003R2W
103-72-0 | Isothiocyanatobenzene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$32.00
- +
5g
95%
in stock  
$57.00
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25g
95%
in stock  
$94.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003R2W
Chemical Name:
Isothiocyanatobenzene
CAS Number:
103-72-0
Molecular Formula:
C7H5NS
Molecular Weight:
135.1863
MDL Number:
MFCD00004798
IUPAC Name:
isothiocyanatobenzene
InChI:
InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChI Key:
QKFJKGMPGYROCL-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1
EC Number:
203-138-1
UNII:
0D58F84LSU
NSC Number:
5583
Properties
Computed Properties
 
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.014g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.184g/mol
Monoisotopic Mass:
135.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
phenyl isothiocyanate 
phenylisothiocyanate 
Isothiocyanic acid phenyl ester 
EN300-17278 
Phenyl isothiocyanate solution, 5% in heptane 
30342-EP2284157A1 
30342-EP2308858A1 
30342-EP2311464A1 
30342-EP2311816A1 
30342-EP2311817A1 
71255-EP2295418A1 
71255-EP2308833A2 
A800790 
Benzene-1-isothiocyanate 
I01-1988 
J-523934 
J-801008 
J-802269 
Phenyl isothiocyanate, 99%, for protein sequencing 
F2121-0322 
InChI=1/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5 
Phenyl isothiocyanate, for protein sequence analysis, >=99.5% (GC) 
Phenyl isothiocyanate solution, for protein sequence analysis, ~5% in heptane 
Phenyl isothiocyanate, for HPLC derivatization, the detection of alcohols and amines, >=99.0% 
Phenylsenfoel 
Phenyl isothiocyanate, Sigma Grade, 8.36 M, suitable for solid phase protein sequencing analysis, >=99% (GC), liquid 
benzenisothiocyanate 
phenylisothiocyanat- 
PHENYL THIOCYANATE 
C7H5NS 
1-Bromo-2-methyl-1-propene 
C7-H5-N-S 
CID7673 
Phenyl isothiocyanate, 97% 100g 
A5513 
Phenyl thioisocyanate 
C005441 
Phenyl isothiocyanate, 98%, for sequential analysis - 100G 100g 
PIT 
PTC 
R1 
Isothiocyanato-benzene 
Fenylisothiokyanat 
USAF M-4 
Isothiocyanic acid, phenyl ester 
Phenylsenfoel [German] 
Fenylisothiokyanat [Czech] 
Isothiocyanatobenzene 
NSC 5583 
UNII-0D58F84LSU 
CCRIS 3144 
CHEBI:85103 
Benzene,isothiocyanato- 
EINECS 203-138-1 
MFCD00004798 
BRN 0471392 
AI3-09310 
0D58F84LSU 
PHENYL ISOTHIOCYANATE 
QKFJKGMPGYROCL-UHFFFAOYSA-N 
AKOS BBS-00004438 
Phenyl isothiocyanate, 98% 
Ylothane 
phenyisothiocyanate 
phenylisothiocynate 
Isothiocynatobenzene 
Phenyl sothocyanate 
phenyl isothiocynate 
isothiocyanato-benzen 
103-72-0 
isothiocynato benzene 
phenyl-isothiocyanate 
phenyl isothio-cyanate 
benzene, isothiocyanato 
iso-thiocyana-tobenaene 
1-Isothiocyanatobenzene 
EDMAN'S REAGENT 
PubChem18702 
ACMC-20ajx2 
WLN: SCNR 
Phenylisothiocyanate 
AC1L1PAO 
AC1Q7EXX 
AC1Q7EXY 
DSSTox_CID_1129 
DSSTox_RID_75960 
DSSTox_GSID_21129 
SCHEMBL20984 
Phenyl isothiocyanate solution 
4-12-00-00867 (Beilstein Handbook Reference) 
KSC492K1J 
Thiocarbanil 
CHEMBL309036 
Jsp000376 
DTXSID0021129 
CTK3J2514 
TIMTEC-BB SBB040940 
NSC5583 
OTAVA-BB 1055672 
ZINC164500 
BCP22726 
CS-B1640 
Phenyl mustard oil 
KS-00000V7I 
NSC-5583 
Tox21_201128 
BBL027476 
BDBM50073665 
SBB040940 
STL281854 
AKOS000119287 
AM90356 
AS04391 
Benzene, isothiocyanato- 
FS-4271 
LS-7649 
MCULE-4369838098 
NE10354 
RP20215 
RTR-000864 
TRA0069149 
NCGC00248931-01 
NCGC00258680-01 
AN-24653 
PITC 
CAS-103-72-0 
CJ-02152 
R522 
SC-25756 
ZB008168 
Phenyl isothiocyanate, reagent grade, 98% 
TR-000864 
FT-0627519 
I0191 
ST50214555 
Literature

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Title: Precolumn derivatization liquid chromatography with mass spectrometry assay for the determination of glucosamine in small volume human plasma.

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Title: Application of iodine-azide reaction for detection of amino acids in thin-layer chromatography.

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Title: Structural and functional characterization of N-terminally blocked peptides isolated from the venom of the social wasp Polybia paulista.

Journal: Peptides 20041201

Title: Development of 99mTc-neomannosyl human serum albumin (99mTc-MSA) as a novel receptor binding agent for sentinel lymph node imaging.

Journal: Nuclear medicine communications 20041201

Title: Synthesis and antimicrobial activities of some new 1-(5-phenylamino-[1,3,4]thiadiazol-2-yl)methyl-5-oxo-[1,2,4]triazole and 1-(4-phenyl-5-thioxo-[1,2,4]triazol-3-yl)methyl-5-oxo- [1,2,4]triazole derivatives.

Journal: European journal of medicinal chemistry 20040901

Title: The facile HPLC enantioresolution of amino acids, peptides on naphthylethylcarbamate-beta-cyclodextrin bonded phases using the acetonitrile-based mobile phase after their pre-column derivatization with phenyl isothiocyanate: factors that affect the resolution.

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Title: Radiobromination of anti-HER2/neu/ErbB-2 monoclonal antibody using the p-isothiocyanatobenzene derivative of the [76Br]undecahydro-bromo-7,8-dicarba-nido-undecaborate(1-) ion.

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Title: Proteasome-mediated degradation of cell division cycle 25C and cyclin-dependent kinase 1 in phenethyl isothiocyanate-induced G2-M-phase cell cycle arrest in PC-3 human prostate cancer cells.

Journal: Molecular cancer therapeutics 20040501

Title: A glycosylated byssal precursor protein from the green mussel Perna viridis with modified dopa side-chains.

Journal: Biofouling 20040401

Title: [Determination of gamma-aminobutyric acid and glutamate in human gastric mucosa by high performance liquid chromatography].

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Title: Determination of amino acids in fodders and raw materials using capillary zone electrophoresis.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20040205

Title: Static and dynamic dielectric behavior of mesogenic compounds of different polarity in the vicinity of the isotropic to nematic phase transition.

Journal: Physical review. E, Statistical, nonlinear, and soft matter physics 20040201

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Title: Synthesis of some new thiazole derivatives of pharmaceutical interest.

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Title: Synthesis and fungicidal activity of some 5-aryl/aryloxymethyl-2-[5-aryl-3-methyl-1,2,4-triazol-2-yl]-1,3,4-thiadiazoles and 5-aryl/aryloxymethyl-2[5-aryl-2-phenylimino-1,3,4- thiadiazolin-3-yl]-1,3,4-thiadiazoles.

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Title: Requirement of a carbon spacer in benzyl isothiocyanate-mediated cytotoxicity and MAPK activation in head and neck squamous cell carcinoma.

Journal: Carcinogenesis 20031001

Title: [(111)In]Bz-DTPA-hEGF: Preparation and in vitro characterization of a potential anti-glioblastoma targeting agent.

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Title: Effect of naturally occurring isothiocyanates on the immune system.

Journal: Immunopharmacology and immunotoxicology 20030801

Title: Phenylisothiocyanate and dansyl chloride precolumn derivatizations for the high-performance liquid chromatography analysis of the antitumoral agent ES-285 in dog plasma.

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Title: Effect of naturally occurring allyl and phenyl isothiocyanates in the inhibition of experimental pulmonary metastasis induced by B16F-10 melanoma cells.

Journal: Fitoterapia 20030601

Title: Anti-tumour and anti-oxidant activity of naturally occurring isothiocyanates.

Journal: Journal of experimental & clinical cancer research : CR 20030601

Title: Sensitivity of Meloidogyne javanica and Tylenchulus semipenetrans to Isothiocyanates in Laboratory Assays.

Journal: Phytopathology 20030601

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Title: Purification and characterization of the reconstitutively active adenine nucleotide carrier from mitochondria of Jerusalem artichoke (Helianthus tuberosus L.) tubers.

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Title: [Simultaneous determination of 18 amino acids by reversed-phase high performance liquid chromatography with precolumn phenylisothiocyanate derivatization].

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Title: Effect of naturally occurring organosulfur compounds on nitric oxide production in lipopolysaccharide-activated macrophages.

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Title: Involvement of amino-acid side chains of membrane proteins in the binding of glutathione to pig cerebral cortical membranes.

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Journal: Bollettino chimico farmaceutico 20010101

Title: Chemopreventive isothiocyanates induce apoptosis and caspase-3-like protease activity.

Journal: Cancer research 19980201

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