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N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
TL;DR: N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide (CAS 335213-34-8) is a chemical compound with molecular formula C16H15ClN2OS and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
Also Known As: BAS 02818548, N-(4-chlorophenyl)-N'-(3,4-dimethylbenzoyl)thiourea, N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide, 1-(4-Chloro-phenyl)-3-(3,4-dimethyl-benzoyl)-thiourea, (3,4-dimethylphenyl)-N-{[(4-chlorophenyl)amino]thioxomethyl}carboxamide
| Molecular Formula | C16H15ClN2OS |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 4.08364 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.05936 |
| Heavy Atoms | 21 |
| Complexity | 683.1764 |
Chemical Identifiers
| CAS Number | 335213-34-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Cl)C |
Product Overview
N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide (CAS 335213-34-8), with molecular formula C16H15ClN2OS and molecular weight 318.06 g/mol. IUPAC: N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide.
Chemical Property Profile of N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
Property Insights of N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide
The XLogP value of 4.08364 indicates that N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide has 2 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 N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide?
The CAS number of N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide is 335213-34-8.
What is the molecular formula of N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide?
The molecular formula of N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide is C16H15ClN2OS.
What is the molecular weight of N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide?
The molecular weight of N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide is 318.06 g/mol.
Where can I buy N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide?
You can request a quote for N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide 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)carbamothioyl]-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)carbamothioyl]-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.