(4-Chlorophenyl)carbamodithioic acid
TL;DR: (4-Chlorophenyl)carbamodithioic acid (CAS 15867-09-1) is a chemical compound with molecular formula C7H6ClNS2 and molecular weight 202.96301 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl)carbamodithioic acid
Also Known As: (4-chlorophenyl)carbamodithioic acid, 4-Chlorophenyldithiocarbamic acid, (4-chloro-phenyl)-dithiocarbamic acid, (4-Chlorophenyl)dithiocarbamic acid, N-(4-Chlorophenyl)dithiocarbamic acid
Technical Specifications
| Molecular Formula | C7H6ClNS2 |
| Molecular Weight | 202.96301 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.96301 Da |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
| SMILES | C1=CC(=CC=C1NC(=S)S)Cl |
| InChIKey | LVWPRQISBKYNTI-UHFFFAOYSA-N |
Chemical Property Profile of (4-Chlorophenyl)carbamodithioic acid
Property Insights of (4-Chlorophenyl)carbamodithioic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chlorophenyl)carbamodithioic acid. With a topological polar surface area (TPSA) of 45.1 Ų, (4-Chlorophenyl)carbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)carbamodithioic acid 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
What is the CAS number of (4-Chlorophenyl)carbamodithioic acid?
The CAS number of (4-Chlorophenyl)carbamodithioic acid is 15867-09-1.
What is the molecular formula of (4-Chlorophenyl)carbamodithioic acid?
The molecular formula of (4-Chlorophenyl)carbamodithioic acid is C7H6ClNS2.
What is the molecular weight of (4-Chlorophenyl)carbamodithioic acid?
The molecular weight of (4-Chlorophenyl)carbamodithioic acid is 202.96301 g/mol.
Where can I buy (4-Chlorophenyl)carbamodithioic acid?
You can request a quote for (4-Chlorophenyl)carbamodithioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Chlorophenyl)carbamodithioic acid?
Yes, CoreyChem provides custom synthesis services for (4-Chlorophenyl)carbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.