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Details

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

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

SMILES

CC(C)(C)C(S)C1=CC=CC=C1

InChI

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

HIDE SMILES / InChI

Molecular Formula C11H16S
Molecular Weight 180.31
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:11:50 GMT 2025
Edited
by admin
on Tue Apr 01 20:11:50 GMT 2025
Record UNII
F5MLV2RXT5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Phenyl-2,2-dimethyl-1-propanthiol
Preferred Name English
?-(1,1-Dimethylethyl)benzenemethanethiol
Systematic Name English
Benzenemethanethiol, ?-(1,1-dimethylethyl)-
Systematic Name English
Code System Code Type Description
CAS
96344-70-6
Created by admin on Tue Apr 01 20:11:50 GMT 2025 , Edited by admin on Tue Apr 01 20:11:50 GMT 2025
PRIMARY
FDA UNII
F5MLV2RXT5
Created by admin on Tue Apr 01 20:11:50 GMT 2025 , Edited by admin on Tue Apr 01 20:11:50 GMT 2025
PRIMARY
PUBCHEM
18006392
Created by admin on Tue Apr 01 20:11:50 GMT 2025 , Edited by admin on Tue Apr 01 20:11:50 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE