3-巯基丙酸
TL;DR: 3-巯基丙酸 (CAS 107-96-0) is a chemical compound with molecular formula C3H6O2S and molecular weight 106.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-巯基丙酸
3-sulfanylpropanoic acid
Also Known As: 3-MERCAPTOPROPIONIC ACID, 3-Mercaptopropanoic acid, 3-Sulfanylpropanoic acid, 3-Thiopropanoic acid, 3-Thiopropionic acid
| Molecular Formula | C3H6O2S |
|---|---|
| Molecular Weight | 106.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.00885 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | 16.8 °C |
| Boiling Point | 111 °C AT 15 MM HG |
| Density | 1.218 AT 21 °C |
| Solubility | SOL IN WATER, ALCOHOL, BENZENE, & ETHER |
| Flash Point | 93 °C |
| Vapor Pressure | 0.04 [mmHg] |
| Refractive Index | 1.4911 AT 20 °C |
Chemical Identifiers
| CAS Number | 107-96-0 |
|---|---|
| SMILES | C(CS)C(=O)O |
| InChIKey | DKIDEFUBRARXTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-巯基丙酸 (CAS 107-96-0), with molecular formula C3H6O2S and molecular weight 106.01 g/mol. IUPAC: 3-sulfanylpropanoic acid.
Chemical Property Profile of 3-巯基丙酸
Property Insights of 3-巯基丙酸
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-巯基丙酸. With a topological polar surface area (TPSA) of 38.3 Ų, 3-巯基丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-巯基丙酸 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 3-巯基丙酸?
The CAS number of 3-巯基丙酸 is 107-96-0.
What is the molecular formula of 3-巯基丙酸?
The molecular formula of 3-巯基丙酸 is C3H6O2S.
What is the molecular weight of 3-巯基丙酸?
The molecular weight of 3-巯基丙酸 is 106.01 g/mol.
Where can I buy 3-巯基丙酸?
You can request a quote for 3-巯基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-巯基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-巯基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.