s-Benzyl o-phenyl carbonodithioate
TL;DR: s-Benzyl o-phenyl carbonodithioate (CAS 24472-74-0) is a chemical compound with molecular formula C14H12OS2 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-phenyl benzylsulfanylmethanethioate
Also Known As: s-benzyl o-phenyl carbonodithioate, o-phenyl s-benzyl xanthate, Benzylsulfanyl-phenoxy-methanethione, O-phenyl benzylsulfanylmethanethioate, Dithiocarbonic acid O-phenyl S-benzyl ester
| Molecular Formula | C14H12OS2 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.03296 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 24472-74-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=S)OC2=CC=CC=C2 |
| InChIKey | DKKUKDFFFUHZPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Benzyl o-phenyl carbonodithioate (CAS 24472-74-0), with molecular formula C14H12OS2 and molecular weight 260.03 g/mol. IUPAC: O-phenyl benzylsulfanylmethanethioate.
Chemical Property Profile of s-Benzyl o-phenyl carbonodithioate
Property Insights of s-Benzyl o-phenyl carbonodithioate
The XLogP value of 4.7 indicates that s-Benzyl o-phenyl carbonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Benzyl o-phenyl carbonodithioate. Following Lipinski's Rule of Five, s-Benzyl o-phenyl carbonodithioate 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 s-Benzyl o-phenyl carbonodithioate?
The CAS number of s-Benzyl o-phenyl carbonodithioate is 24472-74-0.
What is the molecular formula of s-Benzyl o-phenyl carbonodithioate?
The molecular formula of s-Benzyl o-phenyl carbonodithioate is C14H12OS2.
What is the molecular weight of s-Benzyl o-phenyl carbonodithioate?
The molecular weight of s-Benzyl o-phenyl carbonodithioate is 260.03 g/mol.
Where can I buy s-Benzyl o-phenyl carbonodithioate?
You can request a quote for s-Benzyl o-phenyl carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Benzyl o-phenyl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-Benzyl o-phenyl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.