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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO2S
Molecular Weight 179.196
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Thiocyanatobenzoic acid

SMILES

OC(=O)C1=CC=C(SC#N)C=C1

InChI

InChIKey=ZXHCITRMALCKPV-UHFFFAOYSA-N
InChI=1S/C8H5NO2S/c9-5-12-7-3-1-6(2-4-7)8(10)11/h1-4H,(H,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-Thiocyanatobenzoic acid
Systematic Name English
Thiocyanobenzoic acid, p-
Common Name English
Benzoic acid, 4-thiocyanato-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10168165
Created by admin on Sat Dec 16 20:19:08 GMT 2023 , Edited by admin on Sat Dec 16 20:19:08 GMT 2023
PRIMARY
FDA UNII
66RBE3PR3E
Created by admin on Sat Dec 16 20:19:08 GMT 2023 , Edited by admin on Sat Dec 16 20:19:08 GMT 2023
PRIMARY
PUBCHEM
27981
Created by admin on Sat Dec 16 20:19:08 GMT 2023 , Edited by admin on Sat Dec 16 20:19:08 GMT 2023
PRIMARY
CAS
16671-88-8
Created by admin on Sat Dec 16 20:19:08 GMT 2023 , Edited by admin on Sat Dec 16 20:19:08 GMT 2023
PRIMARY