2-Chloroethyl methyl sulfide

C₃H₇ClSCAS 542-81-4110.60 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₃H₇ClS
Molar mass: 110.60 g/mol
Exact mass: 109.9957 Da
Boiling point: 55–57 °C (at 30 Torr)
logP: 1.59Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed97.7% of notifiers
H311 Toxic in contact with skin95.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H331 Toxic if inhaled95.3% of notifiers
H350 May cause cancer95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P318, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

542-81-4

SMILES

CSCCCl

InChIKey

MYFKLQFBFSHBPA-UHFFFAOYSA-N

InChI

InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Ethane, 1-chloro-2-(methylthio)-
Sulfide, 2-chloroethyl methyl
2-Chloroethyl methyl thioether
Methyl β-chloroethyl sulfide
2-(Methylthio)ethyl chloride
1-Chloro-2-(methylthio)ethane
β-(Methylthio)ethyl chloride
Methyl 2-chloroethyl sulfide
β-Chloroethyl methylsulfide
4-Chloro-2-thiabutane
NSC 91724
1-Chloro-2-methylsulfanylethane
2-(Methylsulfanyl)ethyl chloride
(2-Chloroethyl)(methyl)sulfane

Work with 2-Chloroethyl 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

Bis(2-chloroethyl)sulfide505-60-247 % similar Chloromethyl methyl sulfide2373-51-544 % similar 2-Chloroethyl ethyl sulfide693-07-243 % similar Methyl propyl sulphide3877-15-442 % similar 2-Methylthioethylamine18542-42-240 % similar 2-(Methylthio)ethanol5271-38-540 % similar Butyl methyl sulfide628-29-538 % similar 3-(Methylthio)propylamine4104-45-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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