苯甲磺酰氯
TL;DR: 苯甲磺酰氯 (CAS 1939-99-7) is a chemical compound with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲磺酰氯
phenylmethanesulfonyl chloride
Also Known As: Phenylmethanesulfonyl chloride, alpha-Toluenesulfonyl chloride, Benzylsulfonyl chloride, Benzenemethanesulfonyl chloride, Benzylsulfochloride
| Molecular Formula | C7H7ClO2S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.98553 |
| Heavy Atoms | 11 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 1939-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)Cl |
| InChIKey | OAHKWDDSKCRNFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲磺酰氯 (CAS 1939-99-7), with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol. IUPAC: phenylmethanesulfonyl chloride.
Chemical Property Profile of 苯甲磺酰氯
Property Insights of 苯甲磺酰氯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲磺酰氯. With a topological polar surface area (TPSA) of 42.5 Ų, 苯甲磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲磺酰氯 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 苯甲磺酰氯?
The CAS number of 苯甲磺酰氯 is 1939-99-7.
What is the molecular formula of 苯甲磺酰氯?
The molecular formula of 苯甲磺酰氯 is C7H7ClO2S.
What is the molecular weight of 苯甲磺酰氯?
The molecular weight of 苯甲磺酰氯 is 189.99 g/mol.
Where can I buy 苯甲磺酰氯?
You can request a quote for 苯甲磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.