Thioacetic acid
TL;DR: Thioacetic acid (CAS 507-09-5) is a chemical compound with molecular formula C2H4OS and molecular weight 75.99828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
硫代乙酸
ethanethioic S-acid
Also Known As: THIOACETIC ACID, Ethanethioic acid, Ethanethioic S-acid, Thiacetic acid, Thiolacetic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C2H4OS |
| Molecular Weight | 75.99828 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 75.99828 Da |
| Heavy Atoms | 4 |
| Complexity | 33.0 |
| Melting Point | 17 °C |
| Boiling Point | 88.00 °C. @ 760.00 mm Hg |
| Density | 1.063-1.067 |
| Refractive Index | 1.459-1.466 |
| Solubility | Soluble in water, diethyl ether and acetone |
| SMILES | CC(=O)S |
| InChIKey | DUYAAUVXQSMXQP-UHFFFAOYSA-N |
Product Description
Applications: Thioacetic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Thioacetic acid (CAS 507-09-5) is a heterocyclic building block with the molecular formula C2H4OS and a molecular weight of 76 g/mol. Key physical properties include a density of 1.063-1.067 g/cm³, a solubility: Soluble in water, diethyl ether and acetone. Synonyms include THIOACETIC ACID and Ethanethioic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Thioacetic acid
Property Insights of Thioacetic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thioacetic acid. With a topological polar surface area (TPSA) of 18.1 Ų, Thioacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioacetic 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
What is the CAS number of Thioacetic acid?
The CAS number of Thioacetic acid is 507-09-5.
What is the molecular formula of Thioacetic acid?
The molecular formula of Thioacetic acid is C2H4OS.
What is the molecular weight of Thioacetic acid?
The molecular weight of Thioacetic acid is 75.99828 g/mol.
What are the applications of Thioacetic acid?
Thioacetic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Thioacetic acid?
You can request a quote for Thioacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thioacetic acid?
Yes, CoreyChem provides custom synthesis services for Thioacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.