Molecular Identity
Sesquimustard
1,2-bis(2-chloroethylsulfanyl)ethane
PubChem CID: 19092
2D Structure
Properties
C6H12Cl2S2
Molecular Formula
219.20
Molecular Weight
g/mol
217.9757
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
50.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
53
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
SesquimustardSesquimustard QAgent QSesquisulfur Mustard3563-36-81,2-Bis(2-chloroethylthio)ethaneBis(2-chloroethylthio)ethaneHSM 1SM 11,8-Dichloro-3,6-dithiaoctane3,6-Dithia-1,8-octanedichlorideTL 861,2-bis(2-chloroethylsulfanyl)ethaneSesqui-mustard QNSC 30025
Data from PubChem (NCBI)
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Trials and conditions connected to Sesquimustard
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