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

Details

Stereochemistry ABSOLUTE
Molecular Formula C12H20O2S
Molecular Weight 228.351
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MENTHONE-8-THIOACETATE, (1R,4R)-

SMILES

C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)SC(C)=O

InChI

InChIKey=AMXPURQVAMENCC-PSASIEDQSA-N
InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C12H20O2S
Molecular Weight 228.351
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:13:35 GMT 2025
Edited
by admin
on Mon Mar 31 20:13:35 GMT 2025
Record UNII
1HQV1B71RE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHANETHIOIC ACID, S-(1-METHYL-1-((1R,4R)-4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER
Preferred Name English
MENTHONE-8-THIOACETATE, (1R,4R)-
Common Name English
S-(1-METHYL-1-((1R,4R)-4-METHYL-2-OXO-CYCLOHEXYL)ETHYL) ETHANETHIOATE, (1R-E)-
Common Name English
S-(1-METHYL-1-((1R,4R)-4-METHYL-2-OXO-CYCLOHEXYL)ETHYL) ETHANETHIOATE
Systematic Name English
ETHANETHIOIC ACID, S-(1-METHYL-1-(4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER, (1R-TRANS)-
Common Name English
Code System Code Type Description
FDA UNII
1HQV1B71RE
Created by admin on Mon Mar 31 20:13:35 GMT 2025 , Edited by admin on Mon Mar 31 20:13:35 GMT 2025
PRIMARY
CAS
57074-34-7
Created by admin on Mon Mar 31 20:13:35 GMT 2025 , Edited by admin on Mon Mar 31 20:13:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID801351682
Created by admin on Mon Mar 31 20:13:35 GMT 2025 , Edited by admin on Mon Mar 31 20:13:35 GMT 2025
PRIMARY
PUBCHEM
15775309
Created by admin on Mon Mar 31 20:13:35 GMT 2025 , Edited by admin on Mon Mar 31 20:13:35 GMT 2025
PRIMARY
ECHA (EC/EINECS)
260-546-2
Created by admin on Mon Mar 31 20:13:35 GMT 2025 , Edited by admin on Mon Mar 31 20:13:35 GMT 2025
PRIMARY