(4-(Methylsulfonyl)phenyl)(phenyl)sulfane
TL;DR: (4-(Methylsulfonyl)phenyl)(phenyl)sulfane (CAS 63029-15-2) is a chemical compound with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-4-phenylsulfanylbenzene
Also Known As: 1-methylsulfonyl-4-phenylsulfanylbenzene, 1-methylsulfonyl-4-phenylsulfanyl-benzene, (4-(Methylsulfonyl)phenyl)(phenyl)sulfane
| Molecular Formula | C13H12O2S2 |
|---|---|
| Molecular Weight | 264.03 g/mol |
| LogP | 3.2413 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.02786 |
| Heavy Atoms | 17 |
| Complexity | 587.0764 |
Chemical Identifiers
| CAS Number | 63029-15-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2 |
Product Overview
(4-(Methylsulfonyl)phenyl)(phenyl)sulfane (CAS 63029-15-2), with molecular formula C13H12O2S2 and molecular weight 264.03 g/mol. IUPAC: 1-methylsulfonyl-4-phenylsulfanylbenzene.
Chemical Property Profile of (4-(Methylsulfonyl)phenyl)(phenyl)sulfane
Property Insights of (4-(Methylsulfonyl)phenyl)(phenyl)sulfane
The XLogP value of 3.2413 indicates that (4-(Methylsulfonyl)phenyl)(phenyl)sulfane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, (4-(Methylsulfonyl)phenyl)(phenyl)sulfane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-(Methylsulfonyl)phenyl)(phenyl)sulfane has 0 hydrogen bond donor(s) and 3 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-(Methylsulfonyl)phenyl)(phenyl)sulfane?
The CAS number of (4-(Methylsulfonyl)phenyl)(phenyl)sulfane is 63029-15-2.
What is the molecular formula of (4-(Methylsulfonyl)phenyl)(phenyl)sulfane?
The molecular formula of (4-(Methylsulfonyl)phenyl)(phenyl)sulfane is C13H12O2S2.
What is the molecular weight of (4-(Methylsulfonyl)phenyl)(phenyl)sulfane?
The molecular weight of (4-(Methylsulfonyl)phenyl)(phenyl)sulfane is 264.03 g/mol.
Where can I buy (4-(Methylsulfonyl)phenyl)(phenyl)sulfane?
You can request a quote for (4-(Methylsulfonyl)phenyl)(phenyl)sulfane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-(Methylsulfonyl)phenyl)(phenyl)sulfane?
Yes, KEHONG BIO provides custom synthesis services for (4-(Methylsulfonyl)phenyl)(phenyl)sulfane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.