Phenyl phenylsulfanylformate
TL;DR: Phenyl phenylsulfanylformate (CAS 13509-33-6) 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.
phenyl phenylsulfanylformate
Also Known As: phenyl phenylsulfanylformate, o,S-Diphenyl thiocarbonate #, phenyl (phenylsulfanyl)formate, Thiocarbonic acid O,S-diphenyl ester, Carbonothioic acid, O,S-diphenyl ester
| Molecular Formula | C13H10O2S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.04015 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 13509-33-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)SC2=CC=CC=C2 |
| InChIKey | OFQZNOASYRWCLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl phenylsulfanylformate (CAS 13509-33-6), with molecular formula C13H10O2S and molecular weight 230.04 g/mol. IUPAC: phenyl phenylsulfanylformate.
Chemical Property Profile of Phenyl phenylsulfanylformate
Property Insights of Phenyl phenylsulfanylformate
The XLogP value of 4.2 indicates that Phenyl phenylsulfanylformate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Phenyl phenylsulfanylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl phenylsulfanylformate 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 Phenyl phenylsulfanylformate?
The CAS number of Phenyl phenylsulfanylformate is 13509-33-6.
What is the molecular formula of Phenyl phenylsulfanylformate?
The molecular formula of Phenyl phenylsulfanylformate is C13H10O2S.
What is the molecular weight of Phenyl phenylsulfanylformate?
The molecular weight of Phenyl phenylsulfanylformate is 230.04 g/mol.
Where can I buy Phenyl phenylsulfanylformate?
You can request a quote for Phenyl phenylsulfanylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl phenylsulfanylformate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl phenylsulfanylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.