2-Chloroethyl ethyl sulfide

C₄H₉ClSCAS 693-07-2124.63 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₄H₉ClS
Molar mass: 124.63 g/mol
Exact mass: 124.0113 Da
Density: 1.0663 g/mL (at 20 °C)
Boiling point: 156 °C
Water solubility: slightly soluble
logP: 1.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor90.9% of notifiers
H301 Toxic if swallowed90.9% of notifiers
H311 Toxic in contact with skin88.6% of notifiers
H314 Causes severe skin burns and eye damage90.9% of notifiers
H331 Toxic if inhaled88.6% of notifiers
H350 May cause cancer88.6% of notifiers

Aggregated from 44 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+P316, 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

693-07-2

SMILES

CCSCCCl

InChIKey

GBNVXYXIRHSYEG-UHFFFAOYSA-N

InChI

InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3

Weigh it out

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

Names and synonyms

12 names

Ethane, 1-chloro-2-(ethylthio)-
Sulfide, 2-chloroethyl ethyl
1-Chloro-2-(ethylthio)ethane
Ethyl 2-chloroethyl sulfide
2-Ethylthioethyl chloride
2-(Ethylthio)chloroethane
2-Chloroethyl ethyl thioether
2-Chlorodiethyl sulfide
H-MG
Half-sulfur mustard
1-Chloro-2-(ethylsulfanyl)ethane
NSC 10977

Work with 2-Chloroethyl ethyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(2-chloroethyl)sulfide505-60-259 % similar 2-(Ethylthio)ethanol110-77-052 % similar Ethyl propyl sulfide4110-50-350 % similar Diethyl sulfide352-93-247 % similar 2-(Ethylthio)ethylamine36489-03-945 % similar 2-Chloroethyl methyl sulfide542-81-443 % similar n-Propyl chloride540-54-535 % similar Dichlorobis[1,1'-thiobis[ethane]]platinum15442-57-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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