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Details

Stereochemistry MIXED
Molecular Formula C8H16OS
Molecular Weight 160.277
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-MERCAPTO-5-METHYL-4-HEPTANONE

SMILES

CCC(C)C(=O)CC(C)S

InChI

InChIKey=DCYFNDIOPUNALH-UHFFFAOYSA-N
InChI=1S/C8H16OS/c1-4-6(2)8(9)5-7(3)10/h6-7,10H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H16OS
Molecular Weight 160.277
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:07:48 GMT 2025
Edited
by admin
on Wed Apr 02 00:07:48 GMT 2025
Record UNII
ION6Z9RT3U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-MERCAPTO-5-METHYL-4-HEPTANONE
Systematic Name English
FEMA NO. 4779
Preferred Name English
5-METHYL-2-SULFANYLHEPTAN-4-ONE, (±)-
Systematic Name English
4-HEPTANONE, 2-MERCAPTO-5-METHYL-
Systematic Name English
2-MERCAPTO-5-METHYLHEPTAN-4-ONE, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
86723329
Created by admin on Wed Apr 02 00:07:48 GMT 2025 , Edited by admin on Wed Apr 02 00:07:48 GMT 2025
PRIMARY
CAS
1416051-88-1
Created by admin on Wed Apr 02 00:07:48 GMT 2025 , Edited by admin on Wed Apr 02 00:07:48 GMT 2025
PRIMARY
FDA UNII
ION6Z9RT3U
Created by admin on Wed Apr 02 00:07:48 GMT 2025 , Edited by admin on Wed Apr 02 00:07:48 GMT 2025
PRIMARY