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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H20OS
Molecular Weight 200.341
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOHEXANONE, 5-METHYL-2-(1-METHYL-1-(METHYLTHIO)ETHYL)-, (2S-TRANS)-

SMILES

CSC(C)(C)[C@H]1CC[C@H](C)CC1=O

InChI

InChIKey=HJFSNLWDUINFTB-IUCAKERBSA-N
InChI=1S/C11H20OS/c1-8-5-6-9(10(12)7-8)11(2,3)13-4/h8-9H,5-7H2,1-4H3/t8-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H20OS
Molecular Weight 200.341
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 Sat Dec 16 10:10:31 GMT 2023
Edited
by admin
on Sat Dec 16 10:10:31 GMT 2023
Record UNII
XL6VF5QS9U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXANONE, 5-METHYL-2-(1-METHYL-1-(METHYLTHIO)ETHYL)-, (2S-TRANS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
68143799
Created by admin on Sat Dec 16 10:10:32 GMT 2023 , Edited by admin on Sat Dec 16 10:10:32 GMT 2023
PRIMARY
CAS
57129-14-3
Created by admin on Sat Dec 16 10:10:32 GMT 2023 , Edited by admin on Sat Dec 16 10:10:32 GMT 2023
PRIMARY
FDA UNII
XL6VF5QS9U
Created by admin on Sat Dec 16 10:10:32 GMT 2023 , Edited by admin on Sat Dec 16 10:10:32 GMT 2023
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER