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Details

Stereochemistry ACHIRAL
Molecular Formula C6H9NS
Molecular Weight 127.207
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-PENTENYL ISOTHIOCYANATE

SMILES

C=CCCCN=C=S

InChI

InChIKey=DBISBKDNOKIADM-UHFFFAOYSA-N
InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2

HIDE SMILES / InChI

Molecular Formula C6H9NS
Molecular Weight 127.207
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Chemical composition and antimicrobial activity of volatiles from Degenia velebitica, a European stenoendemic plant of the Brassicaceae family.
2010 Nov
Evaluation of antibacterial activity of 3-butenyl, 4-pentenyl, 2-phenylethyl, and benzyl isothiocyanate in Brassica vegetables.
2010 Sep
Hexane extract of Raphanus sativus L. roots inhibits cell proliferation and induces apoptosis in human cancer cells by modulating genes related to apoptotic pathway.
2010 Sep
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:07:10 GMT 2023
Edited
by admin
on Fri Dec 15 19:07:10 GMT 2023
Record UNII
HL8X1CRR9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PENTENYL ISOTHIOCYANATE
FHFI  
Systematic Name English
FEMA NO. 4427
Code English
1-PENTENE, 5-ISOTHIOCYANATO-
Systematic Name English
4-PENTENYL ISOTHIOCYANATE [FHFI]
Common Name English
ISOTHIOCYANIC ACID, 4-PENTENYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
87436
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID70170986
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY
CAS
18060-79-2
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY
FDA UNII
HL8X1CRR9B
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY
JECFA MONOGRAPH
1871
Created by admin on Fri Dec 15 19:07:10 GMT 2023 , Edited by admin on Fri Dec 15 19:07:10 GMT 2023
PRIMARY