S-(4-Chlorophenyl) chlorothiolformate
TL;DR: S-(4-Chlorophenyl) chlorothiolformate (CAS 13606-10-5) 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.
S-(4-chlorophenyl) chloromethanethioate
Also Known As: S-(4-chlorophenyl) carbonochloridothioate, S-(4-chlorophenyl) chloromethanethioate, s-4-chlorophenyl chlorothioformate, S-(4-chlorophenyl) chloridothiocarbonate, S-(4-Chlorophenyl) chlorothiolformate
| Molecular Formula | C7H4Cl2OS |
|---|---|
| Molecular Weight | 205.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.4 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 | 13606-10-5 |
|---|---|
| SMILES | C1=CC(=CC=C1SC(=O)Cl)Cl |
| InChIKey | LCPSYCACCNXGDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(4-Chlorophenyl) chlorothiolformate (CAS 13606-10-5), with molecular formula C7H4Cl2OS and molecular weight 205.94 g/mol. IUPAC: S-(4-chlorophenyl) chloromethanethioate.
Chemical Property Profile of S-(4-Chlorophenyl) chlorothiolformate
Property Insights of S-(4-Chlorophenyl) chlorothiolformate
The XLogP value of 3.9 indicates that S-(4-Chlorophenyl) chlorothiolformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, S-(4-Chlorophenyl) chlorothiolformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-Chlorophenyl) chlorothiolformate 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 S-(4-Chlorophenyl) chlorothiolformate?
The CAS number of S-(4-Chlorophenyl) chlorothiolformate is 13606-10-5.
What is the molecular formula of S-(4-Chlorophenyl) chlorothiolformate?
The molecular formula of S-(4-Chlorophenyl) chlorothiolformate is C7H4Cl2OS.
What is the molecular weight of S-(4-Chlorophenyl) chlorothiolformate?
The molecular weight of S-(4-Chlorophenyl) chlorothiolformate is 205.94 g/mol.
Where can I buy S-(4-Chlorophenyl) chlorothiolformate?
You can request a quote for S-(4-Chlorophenyl) chlorothiolformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-Chlorophenyl) chlorothiolformate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-Chlorophenyl) chlorothiolformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.