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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14S
Molecular Weight 166.283
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-TERT-BUTYLBENZENETHIOL

SMILES

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

InChI

InChIKey=JIBAYVMQQFJSGC-UHFFFAOYSA-N
InChI=1S/C10H14S/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
BENZENETHIOL, 3-(1,1-DIMETHYLETHYL)-
Preferred Name English
3-TERT-BUTYLBENZENETHIOL
Systematic Name English
BENZENETHIOL, M-TERT-BUTYL-
Systematic Name English
M-TERT-BUTYLBENZENETHIOL
Systematic Name English
Code System Code Type Description
CAS
15084-61-4
Created by admin on Wed Apr 02 13:50:31 GMT 2025 , Edited by admin on Wed Apr 02 13:50:31 GMT 2025
PRIMARY
PUBCHEM
19000354
Created by admin on Wed Apr 02 13:50:31 GMT 2025 , Edited by admin on Wed Apr 02 13:50:31 GMT 2025
PRIMARY
FDA UNII
GNV57PU3B7
Created by admin on Wed Apr 02 13:50:31 GMT 2025 , Edited by admin on Wed Apr 02 13:50:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID10597254
Created by admin on Wed Apr 02 13:50:31 GMT 2025 , Edited by admin on Wed Apr 02 13:50:31 GMT 2025
PRIMARY
NIH
NCATS
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