2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid
TL;DR: 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid (CAS 73623-06-0) is a chemical compound with molecular formula C9H7Cl2NO2S2 and molecular weight 294.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)carbamothioylsulfanyl]acetic acid
Also Known As: 3,4-Dichlorodithiocarbanilic acid glycolate, Carbanilic acid, 3,4-dichlorodithio-, ester with mercaptoacetic acid, 3,4-Dichlorodithiocarbanilic acid ester with mercaptoacetic acid, Carbanilic acid, 3,4-dichlorodithio-, glycolate, 2-[(3,4-dichlorophenyl)carbamothioylsulfanyl]acetic acid
| Molecular Formula | C9H7Cl2NO2S2 |
|---|---|
| Molecular Weight | 294.93 g/mol |
| LogP | 3.508 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.92953 |
| Heavy Atoms | 16 |
| Complexity | 425.97006 |
Chemical Identifiers
| CAS Number | 73623-06-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=S)SCC(=O)O)Cl)Cl |
Product Overview
2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid (CAS 73623-06-0), with molecular formula C9H7Cl2NO2S2 and molecular weight 294.93 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)carbamothioylsulfanyl]acetic acid.
Chemical Property Profile of 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid
Property Insights of 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid
The XLogP value of 3.508 indicates that 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic 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 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid?
The CAS number of 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid is 73623-06-0.
What is the molecular formula of 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid?
The molecular formula of 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid is C9H7Cl2NO2S2.
What is the molecular weight of 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid?
The molecular weight of 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid is 294.93 g/mol.
Where can I buy 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid?
You can request a quote for 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((((3,4-Dichlorophenyl)amino)thioxomethyl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.