Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-
TL;DR: Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- (CAS 95236-95-6) is a chemical compound with molecular formula C14H12ClNS and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(4-methylphenyl)benzenecarbothioamide
Also Known As: Thiobenzanilide der., Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-, 4-chloro-N-(4-methylphenyl)benzenecarbothioamide, 4-chloro-N-(p-tolyl)benzenecarbothioamide, N-(4-Methylphenyl)-4-chlorothiobenzamide
| Molecular Formula | C14H12ClNS |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 4.43602 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0379 |
| Heavy Atoms | 17 |
| Complexity | 516.9234 |
Chemical Identifiers
| CAS Number | 95236-95-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)C2=CC=C(C=C2)Cl |
Product Overview
Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- (CAS 95236-95-6), with molecular formula C14H12ClNS and molecular weight 261.04 g/mol. IUPAC: 4-chloro-N-(4-methylphenyl)benzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-
Property Insights of Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-
The XLogP value of 4.43602 indicates that Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- 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 Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-?
The CAS number of Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- is 95236-95-6.
What is the molecular formula of Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-?
The molecular formula of Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- is C14H12ClNS.
What is the molecular weight of Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-?
The molecular weight of Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- is 261.04 g/mol.
Where can I buy Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-?
You can request a quote for Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, 4-chloro-N-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.