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 BENZYL ISOTHIOCYANATE

SMILES

S=C=NCC1=CC=CC=C1

InChI

InChIKey=MDKCFLQDBWCQCV-UHFFFAOYSA-N
InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
BENZYL ISOTHIOCYANATE
FHFI   MART.  
Systematic Name English
ISOTHIOCYANATOMETHYL)BENZENE
Common Name English
TROMACAPS
Common Name English
Benzylisothiocyanate [WHO-DD]
Common Name English
BENZYLISOTHIOCYANATE
WHO-DD  
Systematic Name English
BENZYL ISOTHIOCYANATE [MART.]
Common Name English
TROMALYT
Common Name English
1-(ISOTHIOCYANATOMETHYL)BENZENE
Systematic Name English
BENZYL ISOTHIOCYANATE [FHFI]
Common Name English
NSC-118976
Code English
FEMA NO. 4428
Code English
BENZENE, (ISOTHIOCYANATOMETHYL)-
Systematic Name English
UROGRAN
Common Name English
ISOTHIOCYANIC ACID, BENZYL ESTER
Common Name English
BENZYL MUSTARD OIL
Common Name English
PHENYLMETHYL ISOTHIOCYANATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C45711
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
JECFA EVALUATION BENZYL ISOTHIOCYANATE
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C68537
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
PUBCHEM
2346
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
CAS
622-78-6
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
FDA UNII
871J6YOR8Q
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID0020155
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
SMS_ID
100000077181
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
MESH
C031403
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
CHEBI
17484
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
JECFA MONOGRAPH
1553
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
NSC
118976
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
WIKIPEDIA
Benzyl isothiocyanate
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
EVMPD
SUB13031MIG
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
ECHA (EC/EINECS)
210-753-9
Created by admin on Fri Dec 15 18:32:56 UTC 2023 , Edited by admin on Fri Dec 15 18:32:56 UTC 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
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