苯磺酰氯
TL;DR: 苯磺酰氯 (CAS 98-09-9) is a chemical compound with molecular formula C6H5ClO2S and molecular weight 175.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯磺酰氯
benzenesulfonyl chloride
Also Known As: BENZENESULFONYL CHLORIDE, Phenylsulfonyl chloride, Benzene sulfochloride, Benzenosulfochloride, Benzenosulfochlorek
| Molecular Formula | C6H5ClO2S |
|---|---|
| Molecular Weight | 175.97 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.96988 |
| Heavy Atoms | 10 |
| Complexity | 186.0 |
| Melting Point | 14.5 °C |
| Boiling Point | 251.5 °C at 760 mmHg |
| Density | 1.3842 at 15.0 °C |
| Solubility | INSOL IN WATER; SOL IN ETHER, ALCOHOL |
| Flash Point | greater than 112.0 °C |
| Vapor Pressure | 0.06 [mmHg] |
Chemical Identifiers
| CAS Number | 98-09-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | CSKNSYBAZOQPLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯磺酰氯 (CAS 98-09-9), with molecular formula C6H5ClO2S and molecular weight 175.97 g/mol. IUPAC: benzenesulfonyl chloride.
Chemical Property Profile of 苯磺酰氯
Property Insights of 苯磺酰氯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯磺酰氯. With a topological polar surface area (TPSA) of 42.5 Ų, 苯磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯磺酰氯 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 苯磺酰氯?
The CAS number of 苯磺酰氯 is 98-09-9.
What is the molecular formula of 苯磺酰氯?
The molecular formula of 苯磺酰氯 is C6H5ClO2S.
What is the molecular weight of 苯磺酰氯?
The molecular weight of 苯磺酰氯 is 175.97 g/mol.
Where can I buy 苯磺酰氯?
You can request a quote for 苯磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 苯磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.