U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16ClNOS
Molecular Weight 257.78
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOBENCARB

SMILES

CCN(CC)C(=O)SCC1=CC=C(Cl)C=C1

InChI

InChIKey=QHTQREMOGMZHJV-UHFFFAOYSA-N
InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H16ClNOS
Molecular Weight 257.78
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

PubMed

Substance Class Chemical
Record UNII
90LN6Y7I7H
Record Status Validated (UNII)
Record Version