3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate
TL;DR: 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate (CAS 23379-27-3) is a chemical compound with molecular formula C9H9ClFNO3S2 and molecular weight 296.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2-chloro-4-fluorosulfonylphenyl) N,N-dimethylcarbamothioate
Also Known As: 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate, Benzenesulfonyl fluoride, 3-chloro-4-hydroxy-, dimethylthiocarbamate, Benzenesulfonyl fluoride, dimethylthiocarbamate, 3-Chloro-4-(N,N-dimethylthiocarbamyloxy)benzenesulfonyl fluoride, Carbamothioic acid, dimethyl-, O-(2-chloro-4-(fluorosulfonyl)phenyl) ester
| Molecular Formula | C9H9ClFNO3S2 |
|---|---|
| Molecular Weight | 296.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.96964 |
| Heavy Atoms | 17 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 23379-27-3 |
|---|---|
| SMILES | CN(C)C(=S)OC1=C(C=C(C=C1)S(=O)(=O)F)Cl |
| InChIKey | JOEWTFJELQDOOP-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate (CAS 23379-27-3), with molecular formula C9H9ClFNO3S2 and molecular weight 296.97 g/mol. IUPAC: O-(2-chloro-4-fluorosulfonylphenyl) N,N-dimethylcarbamothioate.
Chemical Property Profile of 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate
Property Insights of 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate. Following Lipinski's Rule of Five, 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate has 0 hydrogen bond donor(s) and 5 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 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate?
The CAS number of 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate is 23379-27-3.
What is the molecular formula of 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate?
The molecular formula of 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate is C9H9ClFNO3S2.
What is the molecular weight of 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate?
The molecular weight of 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate is 296.97 g/mol.
Where can I buy 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate?
You can request a quote for 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-hydroxybenzenesulfonyl fluoride N,N-dimethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.