N-(4-chlorophenyl)benzenecarbothioamide
TL;DR: N-(4-chlorophenyl)benzenecarbothioamide (CAS 5330-57-4) is a chemical compound with molecular formula C13H10ClNS and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)benzenecarbothioamide
Also Known As: N-(4-chlorophenyl)benzenecarbothioamide, p-Chlorothiobenzanilide, Thiobenzanilide der., Benzanilide, 4'-chlorothio-, N-(4-Chlorophenyl)thiobenzamide
| Molecular Formula | C13H10ClNS |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 4.1276 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.02225 |
| Heavy Atoms | 16 |
| Complexity | 479.0456 |
Chemical Identifiers
| CAS Number | 5330-57-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Cl |
Product Overview
N-(4-chlorophenyl)benzenecarbothioamide (CAS 5330-57-4), with molecular formula C13H10ClNS and molecular weight 247.02 g/mol. IUPAC: N-(4-chlorophenyl)benzenecarbothioamide.
Chemical Property Profile of N-(4-chlorophenyl)benzenecarbothioamide
Property Insights of N-(4-chlorophenyl)benzenecarbothioamide
The XLogP value of 4.1276 indicates that N-(4-chlorophenyl)benzenecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-(4-chlorophenyl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)benzenecarbothioamide 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 N-(4-chlorophenyl)benzenecarbothioamide?
The CAS number of N-(4-chlorophenyl)benzenecarbothioamide is 5330-57-4.
What is the molecular formula of N-(4-chlorophenyl)benzenecarbothioamide?
The molecular formula of N-(4-chlorophenyl)benzenecarbothioamide is C13H10ClNS.
What is the molecular weight of N-(4-chlorophenyl)benzenecarbothioamide?
The molecular weight of N-(4-chlorophenyl)benzenecarbothioamide is 247.02 g/mol.
Where can I buy N-(4-chlorophenyl)benzenecarbothioamide?
You can request a quote for N-(4-chlorophenyl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.