carbonothioic acid, O,O-bis(4-chlorophenyl) ester
TL;DR: carbonothioic acid, O,O-bis(4-chlorophenyl) ester (CAS 67803-58-1) is a chemical compound with molecular formula C13H8Cl2O2S and molecular weight 297.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-chlorophenoxy)methanethione
Also Known As: bis(4-chlorophenoxy)methanethione, bis-(4-chlorophenyl) thionocarbonate, O,O-bis(4-chlorophenyl) thiocarbonate, O,O -Bis(p-chlorophenyl) thiocarbonate, Thiocarbonic acid bis(4-chlorophenyl) ester
| Molecular Formula | C13H8Cl2O2S |
|---|---|
| Molecular Weight | 297.96 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.96222 |
| Heavy Atoms | 18 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 67803-58-1 |
|---|---|
| SMILES | C1=CC(=CC=C1OC(=S)OC2=CC=C(C=C2)Cl)Cl |
| InChIKey | FPCLKEOKECTRRI-UHFFFAOYSA-N |
Product Overview
carbonothioic acid, O,O-bis(4-chlorophenyl) ester (CAS 67803-58-1), with molecular formula C13H8Cl2O2S and molecular weight 297.96 g/mol. IUPAC: bis(4-chlorophenoxy)methanethione.
Chemical Property Profile of carbonothioic acid, O,O-bis(4-chlorophenyl) ester
Property Insights of carbonothioic acid, O,O-bis(4-chlorophenyl) ester
The XLogP value of 5.5 indicates that carbonothioic acid, O,O-bis(4-chlorophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, carbonothioic acid, O,O-bis(4-chlorophenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, carbonothioic acid, O,O-bis(4-chlorophenyl) ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of carbonothioic acid, O,O-bis(4-chlorophenyl) ester?
The CAS number of carbonothioic acid, O,O-bis(4-chlorophenyl) ester is 67803-58-1.
What is the molecular formula of carbonothioic acid, O,O-bis(4-chlorophenyl) ester?
The molecular formula of carbonothioic acid, O,O-bis(4-chlorophenyl) ester is C13H8Cl2O2S.
What is the molecular weight of carbonothioic acid, O,O-bis(4-chlorophenyl) ester?
The molecular weight of carbonothioic acid, O,O-bis(4-chlorophenyl) ester is 297.96 g/mol.
Where can I buy carbonothioic acid, O,O-bis(4-chlorophenyl) ester?
You can request a quote for carbonothioic acid, O,O-bis(4-chlorophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for carbonothioic acid, O,O-bis(4-chlorophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for carbonothioic acid, O,O-bis(4-chlorophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.