O-(2,4-dichlorophenyl) chloromethanethioate
TL;DR: O-(2,4-dichlorophenyl) chloromethanethioate (CAS 2812-86-4) is a chemical compound with molecular formula C7H3Cl3OS and molecular weight 239.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(2,4-dichlorophenyl) chloromethanethioate
Also Known As: 2,4-DICHLOROPHENYL CHLOROTHIOFORMATE, O-(2,4-dichlorophenyl) chloromethanethioate, O-(2,4-Dichlorophenyl) carbonochloridothioate
| Molecular Formula | C7H3Cl3OS |
|---|---|
| Molecular Weight | 239.90 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.89702 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 2812-86-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)OC(=S)Cl |
| InChIKey | FISIMXSKNBGWFC-UHFFFAOYSA-N |
Product Overview
O-(2,4-dichlorophenyl) chloromethanethioate (CAS 2812-86-4), with molecular formula C7H3Cl3OS and molecular weight 239.90 g/mol. IUPAC: O-(2,4-dichlorophenyl) chloromethanethioate.
Chemical Property Profile of O-(2,4-dichlorophenyl) chloromethanethioate
Property Insights of O-(2,4-dichlorophenyl) chloromethanethioate
The XLogP value of 4.3 indicates that O-(2,4-dichlorophenyl) chloromethanethioate 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-(2,4-dichlorophenyl) chloromethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(2,4-dichlorophenyl) chloromethanethioate 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-(2,4-dichlorophenyl) chloromethanethioate?
The CAS number of O-(2,4-dichlorophenyl) chloromethanethioate is 2812-86-4.
What is the molecular formula of O-(2,4-dichlorophenyl) chloromethanethioate?
The molecular formula of O-(2,4-dichlorophenyl) chloromethanethioate is C7H3Cl3OS.
What is the molecular weight of O-(2,4-dichlorophenyl) chloromethanethioate?
The molecular weight of O-(2,4-dichlorophenyl) chloromethanethioate is 239.90 g/mol.
Where can I buy O-(2,4-dichlorophenyl) chloromethanethioate?
You can request a quote for O-(2,4-dichlorophenyl) chloromethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2,4-dichlorophenyl) chloromethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2,4-dichlorophenyl) chloromethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.