t-Butyl p-methylphenyl sulfoxide
TL;DR: t-Butyl p-methylphenyl sulfoxide (CAS 1693-83-0) is a chemical compound with molecular formula C11H16OS and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butylsulfinyl-4-methylbenzene
Also Known As: t-Butyl p-methylphenyl sulfoxide, tert-butylsulfinyl-p-toluene, p-Tolyl tert-butyl sulfoxide, tert-butyl 4-methylphenyl sulfoxide, tert-Butyl p-methylphenylsulfoxide
| Molecular Formula | C11H16OS |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0922 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 1693-83-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C(C)(C)C |
| InChIKey | CUHLCVDOSQPTSU-UHFFFAOYSA-N |
Product Overview
t-Butyl p-methylphenyl sulfoxide (CAS 1693-83-0), with molecular formula C11H16OS and molecular weight 196.09 g/mol. IUPAC: 1-tert-butylsulfinyl-4-methylbenzene.
Chemical Property Profile of t-Butyl p-methylphenyl sulfoxide
Property Insights of t-Butyl p-methylphenyl sulfoxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyl p-methylphenyl sulfoxide. With a topological polar surface area (TPSA) of 36.3 Ų, t-Butyl p-methylphenyl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, t-Butyl p-methylphenyl 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 t-Butyl p-methylphenyl sulfoxide?
The CAS number of t-Butyl p-methylphenyl sulfoxide is 1693-83-0.
What is the molecular formula of t-Butyl p-methylphenyl sulfoxide?
The molecular formula of t-Butyl p-methylphenyl sulfoxide is C11H16OS.
What is the molecular weight of t-Butyl p-methylphenyl sulfoxide?
The molecular weight of t-Butyl p-methylphenyl sulfoxide is 196.09 g/mol.
Where can I buy t-Butyl p-methylphenyl sulfoxide?
You can request a quote for t-Butyl p-methylphenyl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyl p-methylphenyl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for t-Butyl p-methylphenyl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.