4-chloro-N-(3-chlorophenyl)benzenecarbothioamide
TL;DR: 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide (CAS 95236-96-7) is a chemical compound with molecular formula C13H9Cl2NS and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-chlorophenyl)benzenecarbothioamide
Also Known As: 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide, 4-Chloro-N-(3-chlorophenyl)benzothioamide, AB-131/42301748
| Molecular Formula | C13H9Cl2NS |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | 4.781 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.98328 |
| Heavy Atoms | 17 |
| Complexity | 537.37067 |
Chemical Identifiers
| CAS Number | 95236-96-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=S)C2=CC=C(C=C2)Cl |
Product Overview
4-chloro-N-(3-chlorophenyl)benzenecarbothioamide (CAS 95236-96-7), with molecular formula C13H9Cl2NS and molecular weight 280.98 g/mol. IUPAC: 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide.
Chemical Property Profile of 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide
Property Insights of 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide
The XLogP value of 4.781 indicates that 4-chloro-N-(3-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, 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(3-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 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide?
The CAS number of 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide is 95236-96-7.
What is the molecular formula of 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide?
The molecular formula of 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide is C13H9Cl2NS.
What is the molecular weight of 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide?
The molecular weight of 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide is 280.98 g/mol.
Where can I buy 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide?
You can request a quote for 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(3-chlorophenyl)benzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.