((1,1-Dimethylethyl)thio)benzene
TL;DR: ((1,1-Dimethylethyl)thio)benzene (CAS 3019-19-0) is a chemical compound with molecular formula C10H14S and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylsulfanylbenzene
Also Known As: tert-Butyl Phenyl sulfide, t-butylthiobenzene, tert-butylsulfanylbenzene, tert-Butylthiobenzene, (tert-Butylsulfanyl)benzene
| Molecular Formula | C10H14S |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.08162 |
| Heavy Atoms | 11 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 3019-19-0 |
|---|---|
| SMILES | CC(C)(C)SC1=CC=CC=C1 |
| InChIKey | VEUCZKAZCRSEMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((1,1-Dimethylethyl)thio)benzene (CAS 3019-19-0), with molecular formula C10H14S and molecular weight 166.08 g/mol. IUPAC: tert-butylsulfanylbenzene.
Chemical Property Profile of ((1,1-Dimethylethyl)thio)benzene
Property Insights of ((1,1-Dimethylethyl)thio)benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((1,1-Dimethylethyl)thio)benzene. With a topological polar surface area (TPSA) of 25.3 Ų, ((1,1-Dimethylethyl)thio)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1,1-Dimethylethyl)thio)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((1,1-Dimethylethyl)thio)benzene?
The CAS number of ((1,1-Dimethylethyl)thio)benzene is 3019-19-0.
What is the molecular formula of ((1,1-Dimethylethyl)thio)benzene?
The molecular formula of ((1,1-Dimethylethyl)thio)benzene is C10H14S.
What is the molecular weight of ((1,1-Dimethylethyl)thio)benzene?
The molecular weight of ((1,1-Dimethylethyl)thio)benzene is 166.08 g/mol.
Where can I buy ((1,1-Dimethylethyl)thio)benzene?
You can request a quote for ((1,1-Dimethylethyl)thio)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((1,1-Dimethylethyl)thio)benzene?
Yes, KEHONG BIO provides custom synthesis services for ((1,1-Dimethylethyl)thio)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.