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Details

Stereochemistry RACEMIC
Molecular Formula C14H24OS
Molecular Weight 240.405
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-(METHYLTHIO)-BUTYRYL)-2,6,6-TRIMETHYLCYCLOHEXENE

SMILES

CSC(C)CC(=O)C1=C(C)CCCC1(C)C

InChI

InChIKey=NCSINGBYRFXOMK-UHFFFAOYSA-N
InChI=1S/C14H24OS/c1-10-7-6-8-14(3,4)13(10)12(15)9-11(2)16-5/h11H,6-9H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C14H24OS
Molecular Weight 240.405
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:32:21 GMT 2025
Edited
by admin
on Mon Mar 31 20:32:21 GMT 2025
Record UNII
2TCW7MIT5C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4569
Preferred Name English
1-(3-(METHYLTHIO)-BUTYRYL)-2,6,6-TRIMETHYLCYCLOHEXENE
Systematic Name English
1-BUTANONE, 3-(METHYLTHIO)-1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-
Systematic Name English
1-(3-(METHYLTHIO)-BUTYRYL)-2,6,6-TRIMETHYLCYCLOHEXENE, (±)-
Systematic Name English
(±)-1-(3-(METHYLTHIO)-BUTYRYL)-2,6,6-TRIMETHYLCYCLOHEXENE
Systematic Name English
3-(METHYLTHIO)-1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1-BUTANONE
Systematic Name English
Code System Code Type Description
FDA UNII
2TCW7MIT5C
Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID60988390
Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025
PRIMARY
PUBCHEM
20332432
Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025
PRIMARY
CAS
68697-67-6
Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025
PRIMARY
JECFA MONOGRAPH
1920
Created by admin on Mon Mar 31 20:32:21 GMT 2025 , Edited by admin on Mon Mar 31 20:32:21 GMT 2025
PRIMARY