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Details

Stereochemistry RACEMIC
Molecular Formula C12H20O2S
Molecular Weight 228.351
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MENTHONE-8-THIOACETATE, TRANS-

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

Approval Year

Unknown
149124
Name Type Language
MENTHONE-8-THIOACETATE, TRANS-
Common Name English
ETHANETHIOIC ACID, S-(1-METHYL-1-((1R,4R)-4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER, REL-
Preferred Name English
ETHANETHIOIC ACID, S-(1-METHYL-1-(4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER, TRANS-(±)-
Common Name English
ETHANETHIOIC ACID, S-(1-METHYL-1-(4-METHYL-2-OXOCYCLOHEXYL)ETHYL) ESTER, TRANS-
Common Name English
Code System Code Type Description
FDA UNII
B163AE9AB3
Created by admin on Mon Mar 31 20:41:31 GMT 2025 , Edited by admin on Mon Mar 31 20:41:31 GMT 2025
PRIMARY
CAS
166022-17-9
Created by admin on Mon Mar 31 20:41:31 GMT 2025 , Edited by admin on Mon Mar 31 20:41:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID70168065
Created by admin on Mon Mar 31 20:41:31 GMT 2025 , Edited by admin on Mon Mar 31 20:41:31 GMT 2025
PRIMARY
NIH
NCATS
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