1-Chloro-2-methyl-3-(methylthio)benzene

C₈H₉ClSCAS 82961-52-2172.67 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₈H₉ClS
Molar mass: 172.67 g/mol
Exact mass: 172.0113 Da
logP: 3.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

82961-52-2

SMILES

CSc1cccc(Cl)c1C

InChIKey

QNMYJMZVOFQIRD-UHFFFAOYSA-N

InChI

InChI=1S/C8H9ClS/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Benzene, 1-chloro-2-methyl-3-(methylthio)-
2-Chloro-6-(methylthio)toluene
1-Chloro-2-methyl-3-methylsulfanylbenzene
1-Chloro-2-methyl-3-(methylsulfanyl)benzene
3-Chloro-2-methylphenyl methyl sulfide

Work with 1-Chloro-2-methyl-3-(methylthio)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dichlorotoluene118-69-458 % similar 1-Chloro-2,3-dimethylbenzene608-23-150 % similar 2-Bromo-6-chlorotoluene62356-27-848 % similar 3-Chloro-2-methylaniline87-60-548 % similar 3-Chloro-2-methylphenol3260-87-547 % similar 2-Chloro-6-fluorotoluene443-83-447 % similar 1-Chloro-3-methoxy-2-methylbenzene3260-88-644 % similar 2-Methyl-4,6-bis(methylthio)-1,3-benzenediamine104983-85-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloroethyl phenyl sulfide5535-49-9 4-(Methylthio)benzyl chloride874-87-3

Elsewhere

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