三氯甲磺酰氯
TL;DR: 三氯甲磺酰氯 (CAS 2547-61-7) is a chemical compound with molecular formula CCl4O2S and molecular weight 215.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯甲磺酰氯
trichloromethanesulfonyl chloride
Also Known As: Trichloromethanesulfonyl chloride, Trichloromethylsulfonyl chloride, CCl4O2S, Trichloromethanesulfonylchloride, Methanesulfonyl chloride, trichloro-
| Molecular Formula | CCl4O2S |
|---|---|
| Molecular Weight | 215.84 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.83437 |
| Heavy Atoms | 8 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 2547-61-7 |
|---|---|
| SMILES | C(S(=O)(=O)Cl)(Cl)(Cl)Cl |
| InChIKey | ZCPSWAFANXCCOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯甲磺酰氯 (CAS 2547-61-7), with molecular formula CCl4O2S and molecular weight 215.84 g/mol. IUPAC: trichloromethanesulfonyl chloride.
Chemical Property Profile of 三氯甲磺酰氯
Property Insights of 三氯甲磺酰氯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氯甲磺酰氯. With a topological polar surface area (TPSA) of 42.5 Ų, 三氯甲磺酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯甲磺酰氯 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 三氯甲磺酰氯?
The CAS number of 三氯甲磺酰氯 is 2547-61-7.
What is the molecular formula of 三氯甲磺酰氯?
The molecular formula of 三氯甲磺酰氯 is CCl4O2S.
What is the molecular weight of 三氯甲磺酰氯?
The molecular weight of 三氯甲磺酰氯 is 215.84 g/mol.
Where can I buy 三氯甲磺酰氯?
You can request a quote for 三氯甲磺酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯甲磺酰氯?
Yes, KEHONG BIO provides custom synthesis services for 三氯甲磺酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.