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

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
139594
Name Type Language
3-TERT-BUTYLBENZENETHIOL
Systematic Name English
BENZENETHIOL, 3-(1,1-DIMETHYLETHYL)-
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 Sat Dec 16 19:09:57 GMT 2023 , Edited by admin on Sat Dec 16 19:09:57 GMT 2023
PRIMARY
PUBCHEM
19000354
Created by admin on Sat Dec 16 19:09:57 GMT 2023 , Edited by admin on Sat Dec 16 19:09:57 GMT 2023
PRIMARY
FDA UNII
GNV57PU3B7
Created by admin on Sat Dec 16 19:09:57 GMT 2023 , Edited by admin on Sat Dec 16 19:09:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID10597254
Created by admin on Sat Dec 16 19:09:57 GMT 2023 , Edited by admin on Sat Dec 16 19:09:57 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966