Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid
TL;DR: Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid (CAS 13037-01-9) is a chemical compound with molecular formula C9H8ClNO2S2 and molecular weight 260.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chlorophenyl)carbamothioylsulfanyl]acetic acid
Also Known As: m-Chlorodithiocarbanilic acid glycolate, Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid, m-Chlorodithiocarbanilic acid ester with mercaptoacetic acid, 2-[(3-chlorophenyl)carbamothioylsulfanyl]acetic acid, 3-Chlorophenyldithiocarbamic acid carboxymethyl ester
| Molecular Formula | C9H8ClNO2S2 |
|---|---|
| Molecular Weight | 260.97 g/mol |
| LogP | 2.8546 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.9685 |
| Heavy Atoms | 15 |
| Complexity | 384.13004 |
Chemical Identifiers
| CAS Number | 13037-01-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=S)SCC(=O)O |
Product Overview
Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid (CAS 13037-01-9), with molecular formula C9H8ClNO2S2 and molecular weight 260.97 g/mol. IUPAC: 2-[(3-chlorophenyl)carbamothioylsulfanyl]acetic acid.
Chemical Property Profile of Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid
Property Insights of Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid
The XLogP value of 2.8546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid. With a topological polar surface area (TPSA) of 49.33 Ų, Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid has 2 hydrogen bond donor(s) and 3 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 Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid?
The CAS number of Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid is 13037-01-9.
What is the molecular formula of Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid?
The molecular formula of Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid is C9H8ClNO2S2.
What is the molecular weight of Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid?
The molecular weight of Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid is 260.97 g/mol.
Where can I buy Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid?
You can request a quote for Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, m-chlorodithio-, ester with mercaptoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.