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Details

Stereochemistry ACHIRAL
Molecular Formula C7H11NS
Molecular Weight 141.234
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-HEXENYL ISOTHIOCYANATE

SMILES

C=CCCCCN=C=S

InChI

InChIKey=WRFHVMFZOJHYGN-UHFFFAOYSA-N
InChI=1S/C7H11NS/c1-2-3-4-5-6-8-7-9/h2H,1,3-6H2

HIDE SMILES / InChI

Molecular Formula C7H11NS
Molecular Weight 141.234
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 23:32:23 GMT 2023
Edited
by admin
on Fri Dec 15 23:32:23 GMT 2023
Record UNII
G1Q3G6DQPO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-HEXENYL ISOTHIOCYANATE
FHFI  
Systematic Name English
FEMA NO. 4421
Code English
5-HEXEN-1-YL ISOTHIOCYANATE
Systematic Name English
1-HEXENE, 6-ISOTHIOCYANATO-
Systematic Name English
5-HEXENYL ISOTHIOCYANATE [FHFI]
Common Name English
Code System Code Type Description
FDA UNII
G1Q3G6DQPO
Created by admin on Fri Dec 15 23:32:23 GMT 2023 , Edited by admin on Fri Dec 15 23:32:23 GMT 2023
PRIMARY
JECFA MONOGRAPH
1872
Created by admin on Fri Dec 15 23:32:23 GMT 2023 , Edited by admin on Fri Dec 15 23:32:23 GMT 2023
PRIMARY
PUBCHEM
184852
Created by admin on Fri Dec 15 23:32:23 GMT 2023 , Edited by admin on Fri Dec 15 23:32:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID90198041
Created by admin on Fri Dec 15 23:32:23 GMT 2023 , Edited by admin on Fri Dec 15 23:32:23 GMT 2023
PRIMARY
CAS
49776-81-0
Created by admin on Fri Dec 15 23:32:23 GMT 2023 , Edited by admin on Fri Dec 15 23:32:23 GMT 2023
PRIMARY