Methylthiophosphorylchloride
TL;DR: Methylthiophosphorylchloride (CAS 18281-76-0) is a chemical compound with molecular formula CH3Cl2OPS and molecular weight 163.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dichlorophosphorylsulfanylmethane
Also Known As: Methylthiophosphorylchloride, Dichlorophosphorylsulfanylmethane, S-methyl dichlorothiophosphate, S-Methyl phosphorodichloridothioate, (methylsulfanyl)phosphonoyl dichloride
| Molecular Formula | CH3Cl2OPS |
|---|---|
| Molecular Weight | 163.90 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.90193 |
| Heavy Atoms | 6 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 18281-76-0 |
|---|---|
| SMILES | CSP(=O)(Cl)Cl |
| InChIKey | XKEDDHKQRMGTDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylthiophosphorylchloride (CAS 18281-76-0), with molecular formula CH3Cl2OPS and molecular weight 163.90 g/mol. IUPAC: dichlorophosphorylsulfanylmethane.
Chemical Property Profile of Methylthiophosphorylchloride
Property Insights of Methylthiophosphorylchloride
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylthiophosphorylchloride. With a topological polar surface area (TPSA) of 42.4 Ų, Methylthiophosphorylchloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylthiophosphorylchloride 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 Methylthiophosphorylchloride?
The CAS number of Methylthiophosphorylchloride is 18281-76-0.
What is the molecular formula of Methylthiophosphorylchloride?
The molecular formula of Methylthiophosphorylchloride is CH3Cl2OPS.
What is the molecular weight of Methylthiophosphorylchloride?
The molecular weight of Methylthiophosphorylchloride is 163.90 g/mol.
Where can I buy Methylthiophosphorylchloride?
You can request a quote for Methylthiophosphorylchloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylthiophosphorylchloride?
Yes, KEHONG BIO provides custom synthesis services for Methylthiophosphorylchloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.