U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C6H12Cl2S2
Molecular Weight 219.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SESQUIMUSTARD

SMILES

ClCCSCCSCCCl

InChI

InChIKey=AMGNHZVUZWILSB-UHFFFAOYSA-N
InChI=1S/C6H12Cl2S2/c7-1-3-9-5-6-10-4-2-8/h1-6H2

HIDE SMILES / InChI

Molecular Formula C6H12Cl2S2
Molecular Weight 219.195
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
5Y1NV229PO
Record Status Validated (UNII)
Record Version