1-丙硫代亚磺酸S-丙酯
TL;DR: 1-丙硫代亚磺酸S-丙酯 (CAS 1948-52-3) is a chemical compound with molecular formula C6H14OS2 and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-丙硫代亚磺酸S-丙酯
1-propylsulfinylsulfanylpropane
Also Known As: O-Benzoylthiamine, s-propyl propane-1-sulfinothioate, 1-propylsulfinylsulfanylpropane, dipropyl thiosulfinate, dipropylthiosulfinate
| Molecular Formula | C6H14OS2 |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.04861 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
| Solubility | 20 mg/mL |
Chemical Identifiers
| CAS Number | 1948-52-3 |
|---|---|
| SMILES | CCCSS(=O)CCC |
| InChIKey | XPRZAEWSYWTDSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-丙硫代亚磺酸S-丙酯 (CAS 1948-52-3), with molecular formula C6H14OS2 and molecular weight 166.05 g/mol. IUPAC: 1-propylsulfinylsulfanylpropane.
Chemical Property Profile of 1-丙硫代亚磺酸S-丙酯
Property Insights of 1-丙硫代亚磺酸S-丙酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-丙硫代亚磺酸S-丙酯. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-丙硫代亚磺酸S-丙酯. Following Lipinski's Rule of Five, 1-丙硫代亚磺酸S-丙酯 has 0 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 1-丙硫代亚磺酸S-丙酯?
The CAS number of 1-丙硫代亚磺酸S-丙酯 is 1948-52-3.
What is the molecular formula of 1-丙硫代亚磺酸S-丙酯?
The molecular formula of 1-丙硫代亚磺酸S-丙酯 is C6H14OS2.
What is the molecular weight of 1-丙硫代亚磺酸S-丙酯?
The molecular weight of 1-丙硫代亚磺酸S-丙酯 is 166.05 g/mol.
Where can I buy 1-丙硫代亚磺酸S-丙酯?
You can request a quote for 1-丙硫代亚磺酸S-丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-丙硫代亚磺酸S-丙酯?
Yes, KEHONG BIO provides custom synthesis services for 1-丙硫代亚磺酸S-丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.