硫代丙酮
TL;DR: 硫代丙酮 (CAS 4756-05-2) is a chemical compound with molecular formula C3H6S and molecular weight 74.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代丙酮
propane-2-thione
Also Known As: Thioacetone, Propane-2-thione, 2-propanethione, Propanethione, 2-Thiopropane
| Molecular Formula | C3H6S |
|---|---|
| Molecular Weight | 74.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 74.01902 |
| Heavy Atoms | 4 |
| Complexity | 26.0 |
Chemical Identifiers
| CAS Number | 4756-05-2 |
|---|---|
| SMILES | CC(=S)C |
| InChIKey | JTNXQVCPQMQLHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代丙酮 (CAS 4756-05-2), with molecular formula C3H6S and molecular weight 74.02 g/mol. IUPAC: propane-2-thione.
Chemical Property Profile of 硫代丙酮
Property Insights of 硫代丙酮
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代丙酮. With a topological polar surface area (TPSA) of 32.1 Ų, 硫代丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代丙酮 has 0 hydrogen bond donor(s) and 1 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 硫代丙酮?
The CAS number of 硫代丙酮 is 4756-05-2.
What is the molecular formula of 硫代丙酮?
The molecular formula of 硫代丙酮 is C3H6S.
What is the molecular weight of 硫代丙酮?
The molecular weight of 硫代丙酮 is 74.02 g/mol.
Where can I buy 硫代丙酮?
You can request a quote for 硫代丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代丙酮?
Yes, KEHONG BIO provides custom synthesis services for 硫代丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.