硫代乙酸
TL;DR: 硫代乙酸 (CAS 507-09-5) is a chemical compound with molecular formula C2H4OS and molecular weight 76.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代乙酸
ethanethioic S-acid
Also Known As: THIOACETIC ACID, Ethanethioic acid, Ethanethioic S-acid, Thiacetic acid, Thiolacetic acid
| Molecular Formula | C2H4OS |
|---|---|
| Molecular Weight | 76.00 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 75.99828 |
| Heavy Atoms | 4 |
| Complexity | 33.0 |
| Melting Point | 17 °C |
| Boiling Point | 88.00 °C. @ 760.00 mm Hg |
| Density | 1.063-1.067 |
| Solubility | Soluble in water, diethyl ether and acetone |
| Refractive Index | 1.459-1.466 |
Chemical Identifiers
| CAS Number | 507-09-5 |
|---|---|
| SMILES | CC(=O)S |
| InChIKey | DUYAAUVXQSMXQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代乙酸 (CAS 507-09-5), with molecular formula C2H4OS and molecular weight 76.00 g/mol. IUPAC: ethanethioic S-acid.
Chemical Property Profile of 硫代乙酸
Property Insights of 硫代乙酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代乙酸. With a topological polar surface area (TPSA) of 18.1 Ų, 硫代乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代乙酸 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 硫代乙酸?
The CAS number of 硫代乙酸 is 507-09-5.
What is the molecular formula of 硫代乙酸?
The molecular formula of 硫代乙酸 is C2H4OS.
What is the molecular weight of 硫代乙酸?
The molecular weight of 硫代乙酸 is 76.00 g/mol.
Where can I buy 硫代乙酸?
You can request a quote for 硫代乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代乙酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.