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Details

Stereochemistry ACHIRAL
Molecular Formula C9H16OS
Molecular Weight 172.288
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLYL THIOHEXANOATE

SMILES

CCCCCC(=O)SCC=C

InChI

InChIKey=TVKQYQGVHJUGJH-UHFFFAOYSA-N
InChI=1S/C9H16OS/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H16OS
Molecular Weight 172.288
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:12:51 GMT 2023
Edited
by admin
on Fri Dec 15 19:12:51 GMT 2023
Record UNII
8KK7J07P1Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLYL THIOHEXANOATE
FHFI  
Systematic Name English
HEXANETHIOIC ACID, S-2-PROPENYL ESTER
Common Name English
ALLYL THIOHEXANOATE [FHFI]
Common Name English
2-(ALLYLSULFANYL)-1-HEPTENE HYDRATE
Systematic Name English
FEMA NO. 4076
Code English
HEXANETHIOIC ACID, S-2-PROPEN-1-YL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ALLYL THIOHEXANOATE
Created by admin on Fri Dec 15 19:12:51 GMT 2023 , Edited by admin on Fri Dec 15 19:12:51 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID401019876
Created by admin on Fri Dec 15 19:12:51 GMT 2023 , Edited by admin on Fri Dec 15 19:12:51 GMT 2023
PRIMARY
CAS
156420-69-8
Created by admin on Fri Dec 15 19:12:51 GMT 2023 , Edited by admin on Fri Dec 15 19:12:51 GMT 2023
PRIMARY
FDA UNII
8KK7J07P1Z
Created by admin on Fri Dec 15 19:12:51 GMT 2023 , Edited by admin on Fri Dec 15 19:12:51 GMT 2023
PRIMARY
PUBCHEM
71587538
Created by admin on Fri Dec 15 19:12:51 GMT 2023 , Edited by admin on Fri Dec 15 19:12:51 GMT 2023
PRIMARY
JECFA MONOGRAPH
1669
Created by admin on Fri Dec 15 19:12:51 GMT 2023 , Edited by admin on Fri Dec 15 19:12:51 GMT 2023
PRIMARY