4-Phenoxythiobenzamide
TL;DR: 4-Phenoxythiobenzamide (CAS 730971-68-3) is a chemical compound with molecular formula C13H11NOS and molecular weight 229.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenoxybenzenecarbothioamide
Also Known As: 4-Phenoxythiobenzamide, 4-phenoxybenzenecarbothioamide, 4-Phenoxybenzothioamide, 4-phenoxybenzene-1-carbothioamide, 4-phenoxy-thiobenzamide
| Molecular Formula | C13H11NOS |
|---|---|
| Molecular Weight | 229.06 g/mol |
| LogP | 3.1131 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.05614 |
| Heavy Atoms | 16 |
| Complexity | 479.0456 |
Chemical Identifiers
| CAS Number | 730971-68-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=S)N |
Product Overview
4-Phenoxythiobenzamide (CAS 730971-68-3), with molecular formula C13H11NOS and molecular weight 229.06 g/mol. IUPAC: 4-phenoxybenzenecarbothioamide.
Chemical Property Profile of 4-Phenoxythiobenzamide
Property Insights of 4-Phenoxythiobenzamide
The XLogP value of 3.1131 indicates that 4-Phenoxythiobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.25 Ų, 4-Phenoxythiobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenoxythiobenzamide has 1 hydrogen bond donor(s) and 2 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 4-Phenoxythiobenzamide?
The CAS number of 4-Phenoxythiobenzamide is 730971-68-3.
What is the molecular formula of 4-Phenoxythiobenzamide?
The molecular formula of 4-Phenoxythiobenzamide is C13H11NOS.
What is the molecular weight of 4-Phenoxythiobenzamide?
The molecular weight of 4-Phenoxythiobenzamide is 229.06 g/mol.
Where can I buy 4-Phenoxythiobenzamide?
You can request a quote for 4-Phenoxythiobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenoxythiobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenoxythiobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.