Benzene, (propylsulfonyl)-
TL;DR: Benzene, (propylsulfonyl)- (CAS 13596-75-3) is a chemical compound with molecular formula C9H12O2S and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propylsulfonylbenzene
Also Known As: propylsulfonylbenzene, Benzene, (propylsulfonyl)-, phenylpropylsulfone, Propylphenyl sulfone, (Propylsulfonyl)benzene
| Molecular Formula | C9H12O2S |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.0558 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 13596-75-3 |
|---|---|
| SMILES | CCCS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | OKHILJWKJWMSEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (propylsulfonyl)- (CAS 13596-75-3), with molecular formula C9H12O2S and molecular weight 184.06 g/mol. IUPAC: propylsulfonylbenzene.
Chemical Property Profile of Benzene, (propylsulfonyl)-
Property Insights of Benzene, (propylsulfonyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, (propylsulfonyl)-. With a topological polar surface area (TPSA) of 42.5 Ų, Benzene, (propylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (propylsulfonyl)- 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 Benzene, (propylsulfonyl)-?
The CAS number of Benzene, (propylsulfonyl)- is 13596-75-3.
What is the molecular formula of Benzene, (propylsulfonyl)-?
The molecular formula of Benzene, (propylsulfonyl)- is C9H12O2S.
What is the molecular weight of Benzene, (propylsulfonyl)-?
The molecular weight of Benzene, (propylsulfonyl)- is 184.06 g/mol.
Where can I buy Benzene, (propylsulfonyl)-?
You can request a quote for Benzene, (propylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (propylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (propylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.