Benzyl S-phenyl thiocarbonate
TL;DR: Benzyl S-phenyl thiocarbonate (CAS 3786-20-7) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl phenylsulfanylformate
Also Known As: Benzyl Phenylsulfanylformate, BENZYL S-PHENYL THIOCARBONATE, benzyl (phenylsulfanyl)formate, Thiocarbonic acid O-benzyl S-phenyl ester, Thiocarbonic acid S-phenyl-O-benzyl ester
| Molecular Formula | C14H12O2S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 4.1155 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0558 |
| Heavy Atoms | 17 |
| Complexity | 468.09558 |
Chemical Identifiers
| CAS Number | 3786-20-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)SC2=CC=CC=C2 |
Product Overview
Benzyl S-phenyl thiocarbonate (CAS 3786-20-7), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: benzyl phenylsulfanylformate.
Chemical Property Profile of Benzyl S-phenyl thiocarbonate
Property Insights of Benzyl S-phenyl thiocarbonate
The XLogP value of 4.1155 indicates that Benzyl S-phenyl thiocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl S-phenyl thiocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl S-phenyl thiocarbonate 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 Benzyl S-phenyl thiocarbonate?
The CAS number of Benzyl S-phenyl thiocarbonate is 3786-20-7.
What is the molecular formula of Benzyl S-phenyl thiocarbonate?
The molecular formula of Benzyl S-phenyl thiocarbonate is C14H12O2S.
What is the molecular weight of Benzyl S-phenyl thiocarbonate?
The molecular weight of Benzyl S-phenyl thiocarbonate is 244.06 g/mol.
Where can I buy Benzyl S-phenyl thiocarbonate?
You can request a quote for Benzyl S-phenyl thiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl S-phenyl thiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl S-phenyl thiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.