U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H18O3S
Molecular Weight 218.313
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(ACETYLMERCAPTO)HEXYL ACETATE

SMILES

CCCC(CCOC(C)=O)SC(C)=O

InChI

InChIKey=GSJSVAFGVJLTNQ-UHFFFAOYSA-N
InChI=1S/C10H18O3S/c1-4-5-10(14-9(3)12)6-7-13-8(2)11/h10H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H18O3S
Molecular Weight 218.313
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:17:46 GMT 2023
Edited
by admin
on Fri Dec 15 19:17:46 GMT 2023
Record UNII
2951Y254J9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(ACETYLMERCAPTO)HEXYL ACETATE
Systematic Name English
(±)-3-(ACETYLMERCAPTO)HEXYL ACETATE
Systematic Name English
3-ACETYLTHIOHEXYL ETHANOATE
Systematic Name English
3-ACETYLTHIOHEXYL ACETATE
Systematic Name English
3-ACETYLMERCAPTOHEXYL ACETATE
FHFI  
Systematic Name English
PASSIFLORA ACETATE
Common Name English
3-(ACETYLMERCAPTO)HEXYL ACETATE, (±)-
Systematic Name English
FEMA NO. 3816
Code English
3-ACETYLMERCAPTOHEXYL ACETATE [FHFI]
Common Name English
FEMA NO. 3851, ACETYLMERCAPTO-
Code English
ETHANETHIOIC ACID, S-(1-(2-(ACETYLOXY)ETHYL)BUTYL) ESTER
Common Name English
Code System Code Type Description
PUBCHEM
2733977
Created by admin on Fri Dec 15 19:17:46 GMT 2023 , Edited by admin on Fri Dec 15 19:17:46 GMT 2023
PRIMARY
FDA UNII
2951Y254J9
Created by admin on Fri Dec 15 19:17:46 GMT 2023 , Edited by admin on Fri Dec 15 19:17:46 GMT 2023
PRIMARY
JECFA MONOGRAPH
517
Created by admin on Fri Dec 15 19:17:46 GMT 2023 , Edited by admin on Fri Dec 15 19:17:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID30869869
Created by admin on Fri Dec 15 19:17:46 GMT 2023 , Edited by admin on Fri Dec 15 19:17:46 GMT 2023
PRIMARY
CAS
136954-25-1
Created by admin on Fri Dec 15 19:17:46 GMT 2023 , Edited by admin on Fri Dec 15 19:17:46 GMT 2023
PRIMARY