Diphenyl thionocarbonate
TL;DR: Diphenyl thionocarbonate (CAS 13509-34-7) is a chemical compound with molecular formula C13H10O2S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenoxymethanethione
Also Known As: diphenoxymethanethione, Diphenyl thionocarbonate, O,O-Diphenyl carbonothioate, phenyl thionocarbonate, Carbonothioic acid, O,O-diphenyl ester
| Molecular Formula | C13H10O2S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.04015 |
| Heavy Atoms | 16 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 13509-34-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=S)OC2=CC=CC=C2 |
| InChIKey | GQZLUBQHOLNJIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenyl thionocarbonate (CAS 13509-34-7), with molecular formula C13H10O2S and molecular weight 230.04 g/mol. IUPAC: diphenoxymethanethione.
Chemical Property Profile of Diphenyl thionocarbonate
Property Insights of Diphenyl thionocarbonate
The XLogP value of 3.9 indicates that Diphenyl thionocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Diphenyl thionocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenyl thionocarbonate has 0 hydrogen bond donor(s) and 3 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 Diphenyl thionocarbonate?
The CAS number of Diphenyl thionocarbonate is 13509-34-7.
What is the molecular formula of Diphenyl thionocarbonate?
The molecular formula of Diphenyl thionocarbonate is C13H10O2S.
What is the molecular weight of Diphenyl thionocarbonate?
The molecular weight of Diphenyl thionocarbonate is 230.04 g/mol.
Where can I buy Diphenyl thionocarbonate?
You can request a quote for Diphenyl thionocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenyl thionocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Diphenyl thionocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.