O-p-Chlorophenyl chlorothioformate
TL;DR: O-p-Chlorophenyl chlorothioformate (CAS 937-64-4) is a chemical compound with molecular formula C7H4Cl2OS and molecular weight 205.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-chlorophenyl) chloromethanethioate
Also Known As: 4-Chlorophenyl chlorothionoformate, O-p-Chlorophenyl chlorothioformate, 4-Chlorophenyl Chlorothioformate, O-(4-chlorophenyl) chloromethanethioate, O-(4-chlorophenyl) carbonochloridothioate
| Molecular Formula | C7H4Cl2OS |
|---|---|
| Molecular Weight | 205.94 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.93599 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 937-64-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=S)Cl)Cl |
| InChIKey | BQIABQCJXBELMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-p-Chlorophenyl chlorothioformate (CAS 937-64-4), with molecular formula C7H4Cl2OS and molecular weight 205.94 g/mol. IUPAC: O-(4-chlorophenyl) chloromethanethioate.
Chemical Property Profile of O-p-Chlorophenyl chlorothioformate
Property Insights of O-p-Chlorophenyl chlorothioformate
The XLogP value of 4.0 indicates that O-p-Chlorophenyl chlorothioformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, O-p-Chlorophenyl chlorothioformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-p-Chlorophenyl chlorothioformate 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 O-p-Chlorophenyl chlorothioformate?
The CAS number of O-p-Chlorophenyl chlorothioformate is 937-64-4.
What is the molecular formula of O-p-Chlorophenyl chlorothioformate?
The molecular formula of O-p-Chlorophenyl chlorothioformate is C7H4Cl2OS.
What is the molecular weight of O-p-Chlorophenyl chlorothioformate?
The molecular weight of O-p-Chlorophenyl chlorothioformate is 205.94 g/mol.
Where can I buy O-p-Chlorophenyl chlorothioformate?
You can request a quote for O-p-Chlorophenyl chlorothioformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-p-Chlorophenyl chlorothioformate?
Yes, KEHONG BIO provides custom synthesis services for O-p-Chlorophenyl chlorothioformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.