丙硫代酸
TL;DR: 丙硫代酸 (CAS 1892-31-5) is a chemical compound with molecular formula C3H6OS and molecular weight 90.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙硫代酸
propanethioic S-acid
Also Known As: Propanethioic acid, thiopropionic acid, propanethioic S-acid, thiopropionicacid, Thiopropionsaure
| Molecular Formula | C3H6OS |
|---|---|
| Molecular Weight | 90.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.01394 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
Chemical Identifiers
| CAS Number | 1892-31-5 |
|---|---|
| SMILES | CCC(=O)S |
| InChIKey | KOODSCBKXPPKHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙硫代酸 (CAS 1892-31-5), with molecular formula C3H6OS and molecular weight 90.01 g/mol. IUPAC: propanethioic S-acid.
Chemical Property Profile of 丙硫代酸
Property Insights of 丙硫代酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙硫代酸. With a topological polar surface area (TPSA) of 18.1 Ų, 丙硫代酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙硫代酸 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 丙硫代酸?
The CAS number of 丙硫代酸 is 1892-31-5.
What is the molecular formula of 丙硫代酸?
The molecular formula of 丙硫代酸 is C3H6OS.
What is the molecular weight of 丙硫代酸?
The molecular weight of 丙硫代酸 is 90.01 g/mol.
Where can I buy 丙硫代酸?
You can request a quote for 丙硫代酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙硫代酸?
Yes, KEHONG BIO provides custom synthesis services for 丙硫代酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.