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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9NS
Molecular Weight 115.197
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOBUTYL ISOTHIOCYANATE

SMILES

CC(C)CN=C=S

InChI

InChIKey=NSDDRJXKROCWRZ-UHFFFAOYSA-N
InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Trypanocidal and antileukaemic effects of the essential oils of Hagenia abyssinica, Leonotis ocymifolia, Moringa stenopetala, and their main individual constituents.
2010 Oct
Patents
Name Type Language
ISOBUTYL ISOTHIOCYANATE
FHFI  
Systematic Name English
2-METHYL-1-PROPYL ISOTHIOCYANATE
Systematic Name English
PROPANE, 1-ISOTHIOCYANATO-2-METHYL-
Systematic Name English
2-METHYLPROPYL ISOTHIOCYANATE
Systematic Name English
I-BUTYL ISOTHIOCYANATE
Common Name English
ISOTHIOCYANIC ACID, ISOBUTYL ESTER
Common Name English
ISOBUTYL ISOTHIOCYANATE [FHFI]
Common Name English
Code System Code Type Description
PUBCHEM
68960
Created by admin on Fri Dec 15 19:53:12 GMT 2023 , Edited by admin on Fri Dec 15 19:53:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-733-2
Created by admin on Fri Dec 15 19:53:12 GMT 2023 , Edited by admin on Fri Dec 15 19:53:12 GMT 2023
PRIMARY
JECFA MONOGRAPH
1864
Created by admin on Fri Dec 15 19:53:12 GMT 2023 , Edited by admin on Fri Dec 15 19:53:12 GMT 2023
PRIMARY
FDA UNII
A498ZC6Z4F
Created by admin on Fri Dec 15 19:53:12 GMT 2023 , Edited by admin on Fri Dec 15 19:53:12 GMT 2023
PRIMARY
CAS
591-82-2
Created by admin on Fri Dec 15 19:53:12 GMT 2023 , Edited by admin on Fri Dec 15 19:53:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID10207846
Created by admin on Fri Dec 15 19:53:12 GMT 2023 , Edited by admin on Fri Dec 15 19:53:12 GMT 2023
PRIMARY