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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NS
Molecular Weight 149.213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of M-TOLYLISOTHIOCYANATE

SMILES

CC1=CC=CC(=C1)N=C=S

InChI

InChIKey=BDPQUWSFKCFOST-UHFFFAOYSA-N
InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
M-TOLYLISOTHIOCYANATE
Systematic Name English
M-TOLYL ISOTHIOCYANATE
Systematic Name English
3-METHYLPHENYL ISOTHIOCYANATE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-677-6
Created by admin on Sat Dec 16 12:32:42 GMT 2023 , Edited by admin on Sat Dec 16 12:32:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID70211146
Created by admin on Sat Dec 16 12:32:42 GMT 2023 , Edited by admin on Sat Dec 16 12:32:42 GMT 2023
PRIMARY
CAS
621-30-7
Created by admin on Sat Dec 16 12:32:42 GMT 2023 , Edited by admin on Sat Dec 16 12:32:42 GMT 2023
PRIMARY
FDA UNII
Q9QG8LTY5U
Created by admin on Sat Dec 16 12:32:42 GMT 2023 , Edited by admin on Sat Dec 16 12:32:42 GMT 2023
PRIMARY
PUBCHEM
69304
Created by admin on Sat Dec 16 12:32:42 GMT 2023 , Edited by admin on Sat Dec 16 12:32:42 GMT 2023
PRIMARY