4-(p-Chlorophenyl)thiane 1-oxide
TL;DR: 4-(p-Chlorophenyl)thiane 1-oxide (CAS 85292-66-6) is a chemical compound with molecular formula C11H13ClOS and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)thiane 1-oxide
Also Known As: 4-(p-Chlorophenyl)thiane 1-oxide, 4-(4-chlorophenyl)thiane 1-oxide, 4-(4-chlorophenyl)thian-1-ium-1-olate, 4-(4-chloro-phenyl)-tetrahydro-thiopyran 1-oxide, 4-(4-Chlorophenyl)tetrahydro-2H-thiopyran 1-oxide
| Molecular Formula | C11H13ClOS |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.03757 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 85292-66-6 |
|---|---|
| SMILES | C1CS(=O)CCC1C2=CC=C(C=C2)Cl |
| InChIKey | SFNMFHFRWOOPSN-UHFFFAOYSA-N |
Product Overview
4-(p-Chlorophenyl)thiane 1-oxide (CAS 85292-66-6), with molecular formula C11H13ClOS and molecular weight 228.04 g/mol. IUPAC: 4-(4-chlorophenyl)thiane 1-oxide.
Chemical Property Profile of 4-(p-Chlorophenyl)thiane 1-oxide
Property Insights of 4-(p-Chlorophenyl)thiane 1-oxide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(p-Chlorophenyl)thiane 1-oxide. With a topological polar surface area (TPSA) of 36.3 Ų, 4-(p-Chlorophenyl)thiane 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(p-Chlorophenyl)thiane 1-oxide 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 4-(p-Chlorophenyl)thiane 1-oxide?
The CAS number of 4-(p-Chlorophenyl)thiane 1-oxide is 85292-66-6.
What is the molecular formula of 4-(p-Chlorophenyl)thiane 1-oxide?
The molecular formula of 4-(p-Chlorophenyl)thiane 1-oxide is C11H13ClOS.
What is the molecular weight of 4-(p-Chlorophenyl)thiane 1-oxide?
The molecular weight of 4-(p-Chlorophenyl)thiane 1-oxide is 228.04 g/mol.
Where can I buy 4-(p-Chlorophenyl)thiane 1-oxide?
You can request a quote for 4-(p-Chlorophenyl)thiane 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(p-Chlorophenyl)thiane 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-(p-Chlorophenyl)thiane 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.