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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16S
Molecular Weight 180.31
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ?-(1,1-Dimethylethyl)benzenemethanethiol, (?S)-

SMILES

CC(C)(C)[C@H](S)C1=CC=CC=C1

InChI

InChIKey=AZJXVWFSXFKQSF-SNVBAGLBSA-N
InChI=1S/C11H16S/c1-11(2,3)10(12)9-7-5-4-6-8-9/h4-8,10,12H,1-3H3/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H16S
Molecular Weight 180.31
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:56:18 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:18 GMT 2025
Record UNII
XKD6G4VZ6K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
?-(1,1-Dimethylethyl)benzenemethanethiol, (?S)-
Systematic Name English
(?S)-?-(1,1-Dimethylethyl)benzenemethanethiol
Preferred Name English
Benzenemethanethiol, ?-(1,1-dimethylethyl)-, (?S)-
Systematic Name English
Code System Code Type Description
FDA UNII
XKD6G4VZ6K
Created by admin on Wed Apr 02 20:56:18 GMT 2025 , Edited by admin on Wed Apr 02 20:56:18 GMT 2025
PRIMARY
CAS
1311271-69-8
Created by admin on Wed Apr 02 20:56:18 GMT 2025 , Edited by admin on Wed Apr 02 20:56:18 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
RACEMATE -> ENANTIOMER