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Details

Stereochemistry RACEMIC
Molecular Formula C6H14OS
Molecular Weight 134.24
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTOHEXANOL

SMILES

CCCC(S)CCO

InChI

InChIKey=TYZFMFVWHZKYSE-UHFFFAOYSA-N
InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H14OS
Molecular Weight 134.24
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 20:18:53 UTC 2023
Edited
by admin
on Fri Dec 15 20:18:53 UTC 2023
Record UNII
U3TIX8Z92N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTOHEXANOL
FHFI  
Systematic Name English
3-MERCAPTO-1-HEXANOL
Systematic Name English
3-MERCAPTOHEXANOL [FHFI]
Common Name English
FEMA NO. 3851, MERCAPTOHEXANOL-
Code English
FEMA NO. 3850
Code English
3-MERCAPTOHEXANOL, (±)-
Systematic Name English
3-SULFANYLHEXAN-1-OL
Systematic Name English
1-HEXANOL, 3-MERCAPTO-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-MERCAPTOHEXANOL
Created by admin on Fri Dec 15 20:18:54 UTC 2023 , Edited by admin on Fri Dec 15 20:18:54 UTC 2023
Code System Code Type Description
CHEBI
77690
Created by admin on Fri Dec 15 20:18:54 UTC 2023 , Edited by admin on Fri Dec 15 20:18:54 UTC 2023
PRIMARY
CAS
51755-83-0
Created by admin on Fri Dec 15 20:18:54 UTC 2023 , Edited by admin on Fri Dec 15 20:18:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID70866216
Created by admin on Fri Dec 15 20:18:54 UTC 2023 , Edited by admin on Fri Dec 15 20:18:54 UTC 2023
PRIMARY
FDA UNII
U3TIX8Z92N
Created by admin on Fri Dec 15 20:18:54 UTC 2023 , Edited by admin on Fri Dec 15 20:18:54 UTC 2023
PRIMARY
MESH
C477019
Created by admin on Fri Dec 15 20:18:54 UTC 2023 , Edited by admin on Fri Dec 15 20:18:54 UTC 2023
PRIMARY
JECFA MONOGRAPH
495
Created by admin on Fri Dec 15 20:18:54 UTC 2023 , Edited by admin on Fri Dec 15 20:18:54 UTC 2023
PRIMARY
PUBCHEM
521348
Created by admin on Fri Dec 15 20:18:54 UTC 2023 , Edited by admin on Fri Dec 15 20:18:54 UTC 2023
PRIMARY