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

Details

Stereochemistry RACEMIC
Molecular Formula C6H12OS
Molecular Weight 132.224
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTOHEXANAL

SMILES

CCCC(S)CC=O

InChI

InChIKey=MMODARXIJRCRGL-UHFFFAOYSA-N
InChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h5-6,8H,2-4H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-MERCAPTOHEXANAL
Systematic Name English
3-MERCAPTOHEXANAL, (±)-
Systematic Name English
FEMA NO. 4585
Code English
(±)-3-MERCAPTOHEXANAL
Systematic Name English
HEXANAL, 3-MERCAPTO-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-MERCAPTOHEXANAL
Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023
Code System Code Type Description
CAS
51755-72-7
Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID60966057
Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023
PRIMARY
PUBCHEM
527445
Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023
PRIMARY
FDA UNII
7YS9XL4686
Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023
PRIMARY
JECFA MONOGRAPH
1907
Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023
PRIMARY
MESH
C477018
Created by admin on Sat Dec 16 00:20:58 UTC 2023 , Edited by admin on Sat Dec 16 00:20:58 UTC 2023
PRIMARY