Tert-butyl phenyl sulfoxide
TL;DR: Tert-butyl phenyl sulfoxide (CAS 62076-10-2) is a chemical compound with molecular formula C10H14OS and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butylsulfinylbenzene
Also Known As: Phenyl tert-butyl sulfoxide, tert-butylsulfinylbenzene, t-butylsulfinylbenzene, Phenyl t-butyl sulfoxide, tert-Butyl phenyl sulfoxide
| Molecular Formula | C10H14OS |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.07654 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 62076-10-2 |
|---|---|
| SMILES | CC(C)(C)S(=O)C1=CC=CC=C1 |
| InChIKey | AZUKVBVKGMKZIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl phenyl sulfoxide (CAS 62076-10-2), with molecular formula C10H14OS and molecular weight 182.08 g/mol. IUPAC: tert-butylsulfinylbenzene.
Chemical Property Profile of Tert-butyl phenyl sulfoxide
Property Insights of Tert-butyl phenyl sulfoxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl phenyl sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, Tert-butyl phenyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl phenyl sulfoxide has 0 hydrogen bond donor(s) and 2 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 Tert-butyl phenyl sulfoxide?
The CAS number of Tert-butyl phenyl sulfoxide is 62076-10-2.
What is the molecular formula of Tert-butyl phenyl sulfoxide?
The molecular formula of Tert-butyl phenyl sulfoxide is C10H14OS.
What is the molecular weight of Tert-butyl phenyl sulfoxide?
The molecular weight of Tert-butyl phenyl sulfoxide is 182.08 g/mol.
Where can I buy Tert-butyl phenyl sulfoxide?
You can request a quote for Tert-butyl phenyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl phenyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl phenyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.