CAS 123-09-1 | Benzene, 1-chloro-4-(methylthio)- | CAS Number 123-09-1

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123-09-1 | Benzene, 1-chloro-4-(methylthio)-

CAS No: 123-09-1 Catalog No: AG000JWM MDL No:MFCD00013643

Product Description

Catalog Number:

AG000JWM

Chemical Name:

Benzene, 1-chloro-4-(methylthio)-

CAS Number:

123-09-1

Molecular Formula:

C7H7ClS

Molecular Weight:

158.6485

MDL Number:

MFCD00013643

IUPAC Name:

1-chloro-4-methylsulfanylbenzene

InChI:

InChI=1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

InChI Key:

KIQQUVJOLVCZKG-UHFFFAOYSA-N

SMILES:

CSc1ccc(cc1)Cl

EC Number:

204-600-5

UNII:

031E43FWKK

NSC Number:

72090

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

158.643g/mol

Monoisotopic Mass:

157.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

25.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
A flavoprotein monooxygenase that catalyses a Baeyer-Villiger reaction and thioether oxidation using NADH as the nicotinamide cofactor.	Chembiochem : a European journal of chemical biology 20120416
Synthesis of optically pure S-sulfoxide by Escherichia coli transformant cells coexpressing the P450 monooxygenase and glucose dehydrogenase genes.	Journal of industrial microbiology & biotechnology 20110501
Treatment of facial atrophic scars with Esthélis, a hyaluronic acid filler with polydense cohesive matrix (CPM).	Journal of drugs in dermatology : JDD 20101201
Improved expression of recombinant cytochrome P450 monooxygenase in Escherichia coli for asymmetric oxidation of sulfides.	Bioprocess and biosystems engineering 20101101
Sequence analysis and heterologous expression of a new cytochrome P450 monooxygenase from Rhodococcus sp. for asymmetric sulfoxidation.	Applied microbiology and biotechnology 20100101
Determination of the sulphoxides and sulphones of three simple sulphides in rat urine: effects of phenobarbitone, beta-naphthoflavone and methimazole.	Biomedical chromatography : BMC 20050101
Involvement of cytochrome P450 and the flavin-containing monooxygenase(s) in the sulphoxidation of simple sulphides in human liver microsomes.	Life sciences 20030606
Sulphoxidation of ethyl methyl sulphide, 4-chlorophenyl methyl sulphide and diphenyl sulphide by purified pig liver flavin-containing monooxygenase.	Xenobiotica; the fate of foreign compounds in biological systems 20030101
HPLC analysis of 4-chlorophenyl methyl sulphide and diphenyl sulphide and their corresponding sulphoxides and sulphones in rat liver microsomes.	Journal of pharmaceutical and biomedical analysis 20020101