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Details

Stereochemistry ACHIRAL
Molecular Formula C4H7NS
Molecular Weight 101.17
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL ISOTHIOCYANATE

SMILES

CC(C)N=C=S

InChI

InChIKey=VHBFEIBMZHEWSX-UHFFFAOYSA-N
InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Herbal compounds and toxins modulating TRP channels.
2008 Mar
Hedge mustard (Sisymbrium officinale): chemical diversity of volatiles and their antimicrobial activity.
2010 Aug
Patents

Patents

Name Type Language
ISOPROPYL ISOTHIOCYANATE
FHFI  
Systematic Name English
PROPANE, 2-ISOTHIOCYANATO-
Systematic Name English
PUTRANJIVIN
Common Name English
FEMA NO. 4425
Code English
2-PROPYL ISOTHIOCYANATE
Systematic Name English
PUTRANJIVINE
Common Name English
ISOPROPYL ISOTHIOCYANATE [FHFI]
Common Name English
2-ISOTHIOCYANATOPROPANE
Systematic Name English
ISOTHIOCYANIC ACID, ISOPROPYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60177045
Created by admin on Sat Dec 16 06:18:01 GMT 2023 , Edited by admin on Sat Dec 16 06:18:01 GMT 2023
PRIMARY
FDA UNII
46561PKP9T
Created by admin on Sat Dec 16 06:18:01 GMT 2023 , Edited by admin on Sat Dec 16 06:18:01 GMT 2023
PRIMARY
MESH
C551253
Created by admin on Sat Dec 16 06:18:01 GMT 2023 , Edited by admin on Sat Dec 16 06:18:01 GMT 2023
PRIMARY
PUBCHEM
75263
Created by admin on Sat Dec 16 06:18:01 GMT 2023 , Edited by admin on Sat Dec 16 06:18:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
218-851-3
Created by admin on Sat Dec 16 06:18:01 GMT 2023 , Edited by admin on Sat Dec 16 06:18:01 GMT 2023
PRIMARY
JECFA MONOGRAPH
1866
Created by admin on Sat Dec 16 06:18:01 GMT 2023 , Edited by admin on Sat Dec 16 06:18:01 GMT 2023
PRIMARY
CAS
2253-73-8
Created by admin on Sat Dec 16 06:18:01 GMT 2023 , Edited by admin on Sat Dec 16 06:18:01 GMT 2023
PRIMARY