alpha-Dichlorothioacetic acid
TL;DR: alpha-Dichlorothioacetic acid (CAS 13639-16-2) is a chemical compound with molecular formula C2H2Cl2OS and molecular weight 143.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroethanethioic S-acid
Also Known As: alpha-Dichlorothioacetic acid, Dichlorothiolacetic acid, dichlorothioacetic acid, 2,2-dichloroethanethioic S-acid, alpha-Dichlorothioaceticacid
| Molecular Formula | C2H2Cl2OS |
|---|---|
| Molecular Weight | 143.92 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.92033 |
| Heavy Atoms | 6 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 13639-16-2 |
|---|---|
| SMILES | C(C(=O)S)(Cl)Cl |
| InChIKey | FTHIZBAYNLJMRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Dichlorothioacetic acid (CAS 13639-16-2), with molecular formula C2H2Cl2OS and molecular weight 143.92 g/mol. IUPAC: 2,2-dichloroethanethioic S-acid.
Chemical Property Profile of alpha-Dichlorothioacetic acid
Property Insights of alpha-Dichlorothioacetic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Dichlorothioacetic acid. With a topological polar surface area (TPSA) of 18.1 Ų, alpha-Dichlorothioacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Dichlorothioacetic acid has 1 hydrogen bond donor(s) and 2 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 alpha-Dichlorothioacetic acid?
The CAS number of alpha-Dichlorothioacetic acid is 13639-16-2.
What is the molecular formula of alpha-Dichlorothioacetic acid?
The molecular formula of alpha-Dichlorothioacetic acid is C2H2Cl2OS.
What is the molecular weight of alpha-Dichlorothioacetic acid?
The molecular weight of alpha-Dichlorothioacetic acid is 143.92 g/mol.
Where can I buy alpha-Dichlorothioacetic acid?
You can request a quote for alpha-Dichlorothioacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Dichlorothioacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Dichlorothioacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.