N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride
TL;DR: N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride (CAS 83508-61-6) is a chemical compound with molecular formula C8H7Cl2NS and molecular weight 218.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-N-methylcarbamothioyl chloride
Also Known As: N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride, N-(3-chlorophenyl)-N-methylcarbamothioyl chloride, Carbamothioic chloride,(3-chlorophenyl)methyl- (9CI), n-(3-chlorophenyl)-n-methylthiocarbamoyl chloride, (3-Chlorophenyl)(methyl)carbamothioyl chloride
| Molecular Formula | C8H7Cl2NS |
|---|---|
| Molecular Weight | 218.97 g/mol |
| LogP | 3.2999 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.96762 |
| Heavy Atoms | 12 |
| Complexity | 300.86426 |
Chemical Identifiers
| CAS Number | 83508-61-6 |
|---|---|
| SMILES | CN(C1=CC(=CC=C1)Cl)C(=S)Cl |
Product Overview
N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride (CAS 83508-61-6), with molecular formula C8H7Cl2NS and molecular weight 218.97 g/mol. IUPAC: N-(3-chlorophenyl)-N-methylcarbamothioyl chloride.
Chemical Property Profile of N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride
Property Insights of N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride
The XLogP value of 3.2999 indicates that N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl 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
Frequently Asked Questions
What is the CAS number of N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride?
The CAS number of N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride is 83508-61-6.
What is the molecular formula of N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride?
The molecular formula of N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride is C8H7Cl2NS.
What is the molecular weight of N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride?
The molecular weight of N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride is 218.97 g/mol.
Where can I buy N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride?
You can request a quote for N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorophenyl)-N-methyl-thiocarbamoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.