Thiobenzanilide
TL;DR: Thiobenzanilide (CAS 636-04-4) is a chemical compound with molecular formula C13H11NS and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylbenzenecarbothioamide
Also Known As: Thiobenzanilide, N-Phenylthiobenzamide, N-Phenylbenzothioamide, N-Phenylbenzenecarbothioamide, N-Phenyl-thiobenzamide
| Molecular Formula | C13H11NS |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.06122 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 636-04-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2 |
| InChIKey | BOQKCADLPNLYCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiobenzanilide (CAS 636-04-4), with molecular formula C13H11NS and molecular weight 213.06 g/mol. IUPAC: N-phenylbenzenecarbothioamide.
Chemical Property Profile of Thiobenzanilide
Property Insights of Thiobenzanilide
The XLogP value of 3.0 indicates that Thiobenzanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Thiobenzanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiobenzanilide has 1 hydrogen bond donor(s) and 1 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 Thiobenzanilide?
The CAS number of Thiobenzanilide is 636-04-4.
What is the molecular formula of Thiobenzanilide?
The molecular formula of Thiobenzanilide is C13H11NS.
What is the molecular weight of Thiobenzanilide?
The molecular weight of Thiobenzanilide is 213.06 g/mol.
Where can I buy Thiobenzanilide?
You can request a quote for Thiobenzanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiobenzanilide?
Yes, KEHONG BIO provides custom synthesis services for Thiobenzanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.