N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride
TL;DR: N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride (CAS 10218-95-8) is a chemical compound with molecular formula C8H7Cl2NS and molecular weight 218.96762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chlorophenyl)-N-methylcarbamothioyl chloride
Also Known As: N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride, N-(4-chlorophenyl)-N-methylcarbamothioyl chloride, N-(4-chlorophenyl)-n-methylthiocarbamoylchloride, (4-Chlorophenyl)(methyl)carbamothioyl chloride, Carbamothioic chloride,(4-chlorophenyl)methyl- (9CI)
Technical Specifications
| Molecular Formula | C8H7Cl2NS |
| Molecular Weight | 218.96762 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.96762 Da |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| SMILES | CN(C1=CC=C(C=C1)Cl)C(=S)Cl |
| InChIKey | OPKGEGFTMBPCTO-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride
Property Insights of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride
The XLogP value of 3.6 indicates that N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride has 0 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 N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride?
The CAS number of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride is 10218-95-8.
What is the molecular formula of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride?
The molecular formula of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride is C8H7Cl2NS.
What is the molecular weight of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride?
The molecular weight of N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride is 218.96762 g/mol.
Where can I buy N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride?
You can request a quote for N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride?
Yes, CoreyChem provides custom synthesis services for N-(4-Chlorophenyl)-N-methylthiocarbamoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.