1,3-丙磺酸内酯
TL;DR: 1,3-丙磺酸内酯 (CAS 1120-71-4) is a chemical compound with molecular formula C3H6O3S and molecular weight 122.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-丙磺酸内酯
oxathiolane 2,2-dioxide
Also Known As: 1,3-Propanesultone, 1,3-PROPANE SULTONE, Propane sultone, 1,2-oxathiolane 2,2-dioxide, Propanesultone
| Molecular Formula | C3H6O3S |
|---|---|
| Molecular Weight | 122.00 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.00377 |
| Heavy Atoms | 7 |
| Complexity | 140.0 |
| Melting Point | 30.0 °C |
| Boiling Point | 180 °C at 0.039 atm. |
| Density | 1.39 |
| Solubility | 10 % (NIOSH, 2024) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 0.27 [mmHg] |
| Refractive Index | 1.450 @ 40 °C |
Chemical Identifiers
| CAS Number | 1120-71-4 |
|---|---|
| SMILES | C1COS(=O)(=O)C1 |
| InChIKey | FSSPGSAQUIYDCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-丙磺酸内酯 (CAS 1120-71-4), with molecular formula C3H6O3S and molecular weight 122.00 g/mol. IUPAC: oxathiolane 2,2-dioxide.
Chemical Property Profile of 1,3-丙磺酸内酯
Property Insights of 1,3-丙磺酸内酯
The XLogP value of -0.2 indicates that 1,3-丙磺酸内酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.8 Ų, 1,3-丙磺酸内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-丙磺酸内酯 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 1,3-丙磺酸内酯?
The CAS number of 1,3-丙磺酸内酯 is 1120-71-4.
What is the molecular formula of 1,3-丙磺酸内酯?
The molecular formula of 1,3-丙磺酸内酯 is C3H6O3S.
What is the molecular weight of 1,3-丙磺酸内酯?
The molecular weight of 1,3-丙磺酸内酯 is 122.00 g/mol.
Where can I buy 1,3-丙磺酸内酯?
You can request a quote for 1,3-丙磺酸内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-丙磺酸内酯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-丙磺酸内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.