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Details

Stereochemistry ACHIRAL
Molecular Formula C7H13NS2
Molecular Weight 175.315
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BERTEROIN

SMILES

CSCCCCCN=C=S

InChI

InChIKey=HBVIMVJTUQNSEP-UHFFFAOYSA-N
InChI=1S/C7H13NS2/c1-10-6-4-2-3-5-8-7-9/h2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H13NS2
Molecular Weight 175.315
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry.
2002 Jul 31
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:13:32 GMT 2023
Edited
by admin
on Fri Dec 15 19:13:32 GMT 2023
Record UNII
0L0K74BW6T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERTEROIN
Common Name English
ISOTHIOCYANIC ACID, 5-(METHYLTHIO)PENTYL ESTER
Common Name English
5-(METHYLTHIO)PENTYL ISOTHIOCYANATE
Systematic Name English
FEMA NO. 4416
Code English
5-(METHYLTHIO)PENTYL ISOTHIOCYANTE [FHFI]
Common Name English
PENTANE, 1-ISOTHIOCYANATO-5-(METHYLTHIO)-
Systematic Name English
1-ISOTHIOCYANATO-5-(METHYLTHIO)PENTANE
Systematic Name English
Code System Code Type Description
PUBCHEM
206037
Created by admin on Fri Dec 15 19:13:32 GMT 2023 , Edited by admin on Fri Dec 15 19:13:32 GMT 2023
PRIMARY
FDA UNII
0L0K74BW6T
Created by admin on Fri Dec 15 19:13:32 GMT 2023 , Edited by admin on Fri Dec 15 19:13:32 GMT 2023
PRIMARY
CAS
4430-42-6
Created by admin on Fri Dec 15 19:13:32 GMT 2023 , Edited by admin on Fri Dec 15 19:13:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID00196119
Created by admin on Fri Dec 15 19:13:32 GMT 2023 , Edited by admin on Fri Dec 15 19:13:32 GMT 2023
PRIMARY
JECFA MONOGRAPH
1874
Created by admin on Fri Dec 15 19:13:32 GMT 2023 , Edited by admin on Fri Dec 15 19:13:32 GMT 2023
PRIMARY