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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H15O3PS2
Molecular Weight 290.339
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIOBENZOIC ACID, ANHYDROSULPHIDE WITH O,O-DIETHYL DITHIOPHOSPHORATE

SMILES

CCOP(=S)(OCC)SC(=O)C1=CC=CC=C1

InChI

InChIKey=AHBICOVYCZVUHW-UHFFFAOYSA-N
InChI=1S/C11H15O3PS2/c1-3-13-15(16,14-4-2)17-11(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BENZENECARBOTHIOIC ACID, ANHYDROSULFIDE WITH O,O-DIETHYL HYDROGEN PHOSPHORODITHIOATE
Preferred Name English
THIOBENZOIC ACID, ANHYDROSULPHIDE WITH O,O-DIETHYL DITHIOPHOSPHORATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30164366
Created by admin on Tue Apr 01 19:34:03 GMT 2025 , Edited by admin on Tue Apr 01 19:34:03 GMT 2025
PRIMARY
FDA UNII
Q9UZ9A868X
Created by admin on Tue Apr 01 19:34:03 GMT 2025 , Edited by admin on Tue Apr 01 19:34:03 GMT 2025
PRIMARY
CAS
1497-32-1
Created by admin on Tue Apr 01 19:34:03 GMT 2025 , Edited by admin on Tue Apr 01 19:34:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
216-093-8
Created by admin on Tue Apr 01 19:34:03 GMT 2025 , Edited by admin on Tue Apr 01 19:34:03 GMT 2025
PRIMARY
PUBCHEM
73900
Created by admin on Tue Apr 01 19:34:03 GMT 2025 , Edited by admin on Tue Apr 01 19:34:03 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966