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

Details

Stereochemistry RACEMIC
Molecular Formula C10H20O2S
Molecular Weight 204.33
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTOHEXYL BUTYRATE

SMILES

CCCC(S)CCOC(=O)CCC

InChI

InChIKey=TZNJKOLXWHXDAF-UHFFFAOYSA-N
InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H20O2S
Molecular Weight 204.33
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:18:54 GMT 2023
Edited
by admin
on Fri Dec 15 20:18:54 GMT 2023
Record UNII
RGA574NASM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTOHEXYL BUTYRATE
FHFI  
Systematic Name English
(±)-3-MERCAPTOHEXYL BUTYRATE
Systematic Name English
3-THIOHEXYL BUTYRATE
Common Name English
FEMA NO. 3852
Code English
BUTANOIC ACID, 3-MERCAPTOHEXYL ESTER
Common Name English
3-THIOHEXYL BUTANOATE
Common Name English
3-MERCAPTOHEXYL BUTYRATE [FHFI]
Common Name English
3-MERCAPTOHEXYL BUTYRATE, (±)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-MERCAPTOHEXYL BUTYRATE
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
486
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY
FDA UNII
RGA574NASM
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY
PUBCHEM
537754
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY
CAS
136954-21-7
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID10869867
Created by admin on Fri Dec 15 20:18:54 GMT 2023 , Edited by admin on Fri Dec 15 20:18:54 GMT 2023
PRIMARY