bis(2-chloroethyl) sulfide (CHEBI:25434)

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ChEBI Name	bis(2-chloroethyl) sulfide

ChEBI ID	CHEBI:25434

Definition	An ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated under the Chemical Weapons Convention.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C4H8Cl2S

Net Charge

Average Mass

159.07772

Monoisotopic Mass

157.97238

InChI

InChI=1S/C4H8Cl2S/c5-1-3-7-4-2-6/h1-4H2

InChIKey

QKSKPIVNLNLAAV-UHFFFAOYSA-N

SMILES

ClCCSCCCl

Roles Classification
Biological Role(s):	vesicant Any compound that causes severe skin, eye and mucosal pain and irritation. carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.

ChEBI Ontology
Outgoing	bis(2-chloroethyl) sulfide (CHEBI:25434) has role alkylating agent (CHEBI:22333) bis(2-chloroethyl) sulfide (CHEBI:25434) has role carcinogenic agent (CHEBI:50903) bis(2-chloroethyl) sulfide (CHEBI:25434) has role vesicant (CHEBI:78592) bis(2-chloroethyl) sulfide (CHEBI:25434) is a ethyl sulfide (CHEBI:23996) bis(2-chloroethyl) sulfide (CHEBI:25434) is a organochlorine compound (CHEBI:36683)

IUPAC Name

1-chloro-2-[(2-chloroethyl)sulfanyl]ethane

Synonyms	Sources
1,1'-thiobis(2-chloroethane)	NIST Chemistry WebBook
1-chloro-2-[(2-chloroethyl)thio]ethane	IUPAC
bis(2-chloroethyl) sulfide	ChemIDplus
bis(2-chloroethyl) sulphide	NIST Chemistry WebBook
bis(2-chloroethyl)sulfane	IUPAC
Iprit	KEGG COMPOUND
Lost	NIST Chemistry WebBook
Mustard gas	KEGG COMPOUND
mustard gas	ChemIDplus
Senfgas	NIST Chemistry WebBook
sulfur mustard	ChemIDplus
Yperite	NIST Chemistry WebBook

Last Modified

28 July 2014