623-13-2,MFCD00008560
Catalog No.:AA003BTQ

623-13-2 | (4-Methylthio)toluene

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Purity
Availability
Price(USD)
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1g
99%
in stock  
$12.00   $8.00
- +
5g
99%
in stock  
$26.00   $18.00
- +
100g
99%
in stock  
$479.00   $335.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003BTQ
Chemical Name:
(4-Methylthio)toluene
CAS Number:
623-13-2
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
MDL Number:
MFCD00008560
SMILES:
CSc1ccc(cc1)C
NSC Number:
6256
Properties
Properties
 
BP:
52-54 °C1 mm Hg(lit.)  
Form:
Liquid  
Refractive Index:
n20/D 1.573(lit.)  
Storage:
Room Temperature;Keep in dry area;  

Computed Properties
 
Complexity:
72.6  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Miotti,Umberto[JournaloftheChemicalSociety.PerkintransactionsII,1991,#5,p.617-622]

[1]Huang,Jian-Lin;Dai,Xi-Jie;Li,Chao-Jun[EuropeanJournalofOrganicChemistry,2013,#29,p.6496-6500]

[2]Dai,Xi-Jie;Li,Chao-Jun[JournaloftheAmericanChemicalSociety,2016,vol.138,#16,p.5433-5440]

[3]Nutaitis,CharlesF.;Bernardo,JosephE.[SyntheticCommunications,1990,vol.20,#4,p.487-493]

[4]Xi,Xiaoxiang;Chen,Tieqiao;Zhang,Ji-Shu;Han,Li-Biao[ChemicalCommunications,2018,vol.54,#12,p.1521-1524]

[1]Tetrahedron,1994,vol.50,p.6037-6048

[2]Tetrahedron,1994,vol.50,p.6037-6048

[1]Tetrahedron,1994,vol.50,p.6037-6048

[1]Chodnekar;Blum[Journalofmedicinalchemistry,1968,vol.11,#5,p.1023-1028]

Literature

Title: Hybrid polyoxotungstates as functional comonomers in new cross-linked catalytic polymers for sustainable oxidation with hydrogen peroxide.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20121008

Title: Sequence analysis and heterologous expression of a new cytochrome P450 monooxygenase from Rhodococcus sp. for asymmetric sulfoxidation.

Journal: Applied microbiology and biotechnology 20100101

Title: Effect of hyperosmotic conditions on flavin-containing monooxygenase activity, protein and mRNA expression in rat kidney.

Journal: Toxicology letters 20090601

Title: Synthesis and antimicrobial activities of some new triazolothiadiazoles bearing 4-methylthiobenzyl moiety.

Journal: European journal of medicinal chemistry 20090201

Title: Inter-individual variation in flavin-containing monooxygenase 3 in livers from Japanese: correlation with hepatic transcription factors.

Journal: Drug metabolism and pharmacokinetics 20090101

Title: Characterization of mouse flavin-containing monooxygenase transcript levels in lung and liver, and activity of expressed isoforms.

Journal: Biochemical pharmacology 20080115

Title: Convenient one pot synthesis and antimicrobial evaluation of some new Mannich bases carrying 4-methylthiobenzyl moiety.

Journal: European journal of medicinal chemistry 20070801

Title: Effect of genetic variants of the human flavin-containing monooxygenase 3 on N- and S-oxygenation activities.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20070301

Title: Phosphato, chromato, and perrhenato complexes of titanium(IV) and zirconium(IV) containing Kläui's tripodal ligand.

Journal: Inorganic chemistry 20060109

Title: Prochiral sulfoxidation as a probe for flavin-containing monooxygenases.

Journal: Methods in molecular biology (Clifton, N.J.) 20060101

Title: Evaluation of peracetic acid permeation during flash sterilization through pharmaceutical plastic polymers used in cytotoxic reconstitution units.

Journal: PDA journal of pharmaceutical science and technology 20050101

Title: Preparation and redox properties of N,N,N-1,3,5-trialkylated flavin derivatives and their activity as redox catalysts.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20041217

Title: Dioxygenase-catalysed oxidation of alkylaryl sulfides: sulfoxidation versus cis-dihydrodiol formation.

Journal: Organic & biomolecular chemistry 20040907

Title: Evaluation of xenobiotic N- and S-oxidation by variant flavin-containing monooxygenase 1 (FMO1) enzymes.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20040401

Title: The prodrug activator EtaA from Mycobacterium tuberculosis is a Baeyer-Villiger monooxygenase.

Journal: The Journal of biological chemistry 20040130

Title: S-oxidation of S-methyl-esonarimod by flavin-containing monooxygenases in human liver microsomes.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20031201

Title: Catalysis of oxo transfer to prochiral sulfides by oxovanadium(v) compounds that model the active center of haloperoxidases.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20031006

Title: Identification of metabolic pathways involved in the biotransformation of tolperisone by human microsomal enzymes.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20030501

Title: Aerobic oxidation of methyl p-tolyl sulfide catalyzed by a remarkably labile heteroscorpionate RuII-aqua complex, fac-[RuII(H2O)(dpp)(tppm)]2+.

Journal: Journal of the American Chemical Society 20030115

Title: Oxorhenium(V) dithiolates catalyze the oxidation by tert-butyl hydroperoxide of sulfoxides and sulfides, including 4,6-dimethyldibenzothiophene.

Journal: Inorganic chemistry 20020311

Title: Biotransformations catalyzed by cloned p-cymene monooxygenase from Pseudomonas putida F1.

Journal: Applied microbiology and biotechnology 20010401

Title: Preparation and reactions of myoglobin mutants bearing both proximal cysteine ligand and hydrophobic distal cavity: protein models for the active site of P-450.

Journal: Biochemistry 19961008

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Additional Info:
SDS
Tags:623-13-2 Molecular Formula|623-13-2 MDL|623-13-2 SMILES|623-13-2 (4-Methylthio)toluene
Catalog No.: AA003BTQ
623-13-2,MFCD00008560
623-13-2 | (4-Methylthio)toluene
Pack Size: 1g
Purity: 99%
in stock
$12.00 $8.00
Pack Size: 5g
Purity: 99%
in stock
$26.00 $18.00
Pack Size: 100g
Purity: 99%
in stock
$479.00 $335.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003BTQ
Chemical Name: (4-Methylthio)toluene
CAS Number: 623-13-2
Molecular Formula: C8H10S
Molecular Weight: 138.2300
MDL Number: MFCD00008560
SMILES: CSc1ccc(cc1)C
NSC Number: 6256
Properties
BP: 52-54 °C1 mm Hg(lit.)  
Form: Liquid  
Refractive Index: n20/D 1.573(lit.)  
Storage: Room Temperature;Keep in dry area;  
Complexity: 72.6  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
626-26-6    934-72-5    13153-06-5    623-13-2 

[1]Miotti,Umberto[JournaloftheChemicalSociety.PerkintransactionsII,1991,#5,p.617-622]

3446-90-0    623-13-2 

[1]Huang,Jian-Lin;Dai,Xi-Jie;Li,Chao-Jun[EuropeanJournalofOrganicChemistry,2013,#29,p.6496-6500]

[2]Dai,Xi-Jie;Li,Chao-Jun[JournaloftheAmericanChemicalSociety,2016,vol.138,#16,p.5433-5440]

[3]Nutaitis,CharlesF.;Bernardo,JosephE.[SyntheticCommunications,1990,vol.20,#4,p.487-493]

[4]Xi,Xiaoxiang;Chen,Tieqiao;Zhang,Ji-Shu;Han,Li-Biao[ChemicalCommunications,2018,vol.54,#12,p.1521-1524]

623-13-2    620-14-4 

[1]Tetrahedron,1994,vol.50,p.6037-6048

[2]Tetrahedron,1994,vol.50,p.6037-6048

623-13-2    619-20-5 

[1]Tetrahedron,1994,vol.50,p.6037-6048

623-13-2    40913-92-6 

[1]Chodnekar;Blum[Journalofmedicinalchemistry,1968,vol.11,#5,p.1023-1028]

Literature fold

Title: Hybrid polyoxotungstates as functional comonomers in new cross-linked catalytic polymers for sustainable oxidation with hydrogen peroxide.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20121008

Title: Sequence analysis and heterologous expression of a new cytochrome P450 monooxygenase from Rhodococcus sp. for asymmetric sulfoxidation.

Journal: Applied microbiology and biotechnology20100101

Title: Effect of hyperosmotic conditions on flavin-containing monooxygenase activity, protein and mRNA expression in rat kidney.

Journal: Toxicology letters20090601

Title: Synthesis and antimicrobial activities of some new triazolothiadiazoles bearing 4-methylthiobenzyl moiety.

Journal: European journal of medicinal chemistry20090201

Title: Inter-individual variation in flavin-containing monooxygenase 3 in livers from Japanese: correlation with hepatic transcription factors.

Journal: Drug metabolism and pharmacokinetics20090101

Title: Characterization of mouse flavin-containing monooxygenase transcript levels in lung and liver, and activity of expressed isoforms.

Journal: Biochemical pharmacology20080115

Title: Convenient one pot synthesis and antimicrobial evaluation of some new Mannich bases carrying 4-methylthiobenzyl moiety.

Journal: European journal of medicinal chemistry20070801

Title: Effect of genetic variants of the human flavin-containing monooxygenase 3 on N- and S-oxygenation activities.

Journal: Drug metabolism and disposition: the biological fate of chemicals20070301

Title: Phosphato, chromato, and perrhenato complexes of titanium(IV) and zirconium(IV) containing Kläui's tripodal ligand.

Journal: Inorganic chemistry20060109

Title: Prochiral sulfoxidation as a probe for flavin-containing monooxygenases.

Journal: Methods in molecular biology (Clifton, N.J.)20060101

Title: Evaluation of peracetic acid permeation during flash sterilization through pharmaceutical plastic polymers used in cytotoxic reconstitution units.

Journal: PDA journal of pharmaceutical science and technology20050101

Title: Preparation and redox properties of N,N,N-1,3,5-trialkylated flavin derivatives and their activity as redox catalysts.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20041217

Title: Dioxygenase-catalysed oxidation of alkylaryl sulfides: sulfoxidation versus cis-dihydrodiol formation.

Journal: Organic & biomolecular chemistry20040907

Title: Evaluation of xenobiotic N- and S-oxidation by variant flavin-containing monooxygenase 1 (FMO1) enzymes.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20040401

Title: The prodrug activator EtaA from Mycobacterium tuberculosis is a Baeyer-Villiger monooxygenase.

Journal: The Journal of biological chemistry20040130

Title: S-oxidation of S-methyl-esonarimod by flavin-containing monooxygenases in human liver microsomes.

Journal: Xenobiotica; the fate of foreign compounds in biological systems20031201

Title: Catalysis of oxo transfer to prochiral sulfides by oxovanadium(v) compounds that model the active center of haloperoxidases.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20031006

Title: Identification of metabolic pathways involved in the biotransformation of tolperisone by human microsomal enzymes.

Journal: Drug metabolism and disposition: the biological fate of chemicals20030501

Title: Aerobic oxidation of methyl p-tolyl sulfide catalyzed by a remarkably labile heteroscorpionate RuII-aqua complex, fac-[RuII(H2O)(dpp)(tppm)]2+.

Journal: Journal of the American Chemical Society20030115

Title: Oxorhenium(V) dithiolates catalyze the oxidation by tert-butyl hydroperoxide of sulfoxides and sulfides, including 4,6-dimethyldibenzothiophene.

Journal: Inorganic chemistry20020311

Title: Biotransformations catalyzed by cloned p-cymene monooxygenase from Pseudomonas putida F1.

Journal: Applied microbiology and biotechnology20010401

Title: Preparation and reactions of myoglobin mutants bearing both proximal cysteine ligand and hydrophobic distal cavity: protein models for the active site of P-450.

Journal: Biochemistry19961008

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