2-Chlorophenyl methyl sulfide

C7H7ClSCAS 17733-22-1158.64 g/mol

Open in Covalent MOL file
SCl
Aryl halideSulfide

Properties

Molecular formula
C7H7ClS
Molar mass
158.64 g/mol
Exact mass
157.9957 Da
logP
3.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17733-22-1
SMILES
CSC1=CC=CC=C1Cl
InChIKey
IHLDFHCSSCVPQW-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Chlorothioanisole

Work with 2-Chlorophenyl methyl sulfide

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

1-Chloro-2-methyl-3-(methylthio)benzene82961-52-265 % similar 2-Bromothioanisole19614-16-550 % similar 2-Methoxythioanisole2388-73-050 % similar 2-(Methylthio)phenol1073-29-648 % similar 2-(Methylthio)aniline2987-53-348 % similar 1-Iodo-2-methylsulfanylbenzene33775-94-948 % similar 2-Fluorothioanisole655-20-948 % similar 1,2-Dichlorobenzene95-50-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-4-(methylthio)benzene123-09-1 2-Chlorobenzyl mercaptan39718-00-8 1-Chloro-3-(methylthio)benzene4867-37-2 4-Chlorobenzyl mercaptan6258-66-8 Chloromethyl phenyl sulphide7205-91-6 p-Toluenesulfenyl chloride933-00-6

Elsewhere

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