Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-
TL;DR: Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- (CAS 101078-48-2) is a chemical compound with molecular formula C14H12ClNS and molecular weight 261.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chlorophenyl)-4-methylbenzenecarbothioamide
Also Known As: Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-, N-(4-chlorophenyl)-4-methylbenzenecarbothioamide, N-(4-Chlorophenyl)-4-methylthiobenzamide, Benzenecarbothioamide,N-(4-chlorophenyl)-4-methyl-, J1.248.147K
Technical Specifications
| Molecular Formula | C14H12ClNS |
| Molecular Weight | 261.0379 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0379 Da |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
| SMILES | CC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Cl |
| InChIKey | MVTDYKYUUXHRDB-UHFFFAOYSA-N |
Chemical Property Profile of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-
Property Insights of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-
The XLogP value of 4.0 indicates that Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- 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
What is the CAS number of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-?
The CAS number of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- is 101078-48-2.
What is the molecular formula of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-?
The molecular formula of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- is C14H12ClNS.
What is the molecular weight of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-?
The molecular weight of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- is 261.0379 g/mol.
Where can I buy Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-?
You can request a quote for Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-?
Yes, CoreyChem provides custom synthesis services for Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.