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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

Molecular Formula C5H9NS
Molecular Weight 115.197
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:53:12 GMT 2023
Edited
by admin
on Fri Dec 15 19:53:12 GMT 2023
Record UNII
A498ZC6Z4F
Record Status Validated (UNII)
Record Version
  • Download
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