1,3-丙二硫醇
TL;DR: 1,3-丙二硫醇 (CAS 109-80-8) is a chemical compound with molecular formula C3H8S2 and molecular weight 108.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-丙二硫醇
propane-1,3-dithiol
Also Known As: 1,3-Propanedithiol, Propane-1,3-dithiol, 1,3-DIMERCAPTOPROPANE, Trimethylenedithiol, Trimethylene dimercaptan
| Molecular Formula | C3H8S2 |
|---|---|
| Molecular Weight | 108.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.006744 |
| Heavy Atoms | 5 |
| Complexity | 12.0 |
| Melting Point | -78.9 °C |
| Boiling Point | 168.9 °C at 760 mmHg |
| Density | 1.0722 at 20.0 °C |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 58.9 °C |
| Vapor Pressure | 16.3 mmHg at -2.2 °C ; 22.8 mmHg at 25.0 °C; 34.6 mmHg at 42.2 °C |
| Refractive Index | 1.537-1.539 |
Chemical Identifiers
| CAS Number | 109-80-8 |
|---|---|
| SMILES | C(CS)CS |
| InChIKey | ZJLMKPKYJBQJNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-丙二硫醇 (CAS 109-80-8), with molecular formula C3H8S2 and molecular weight 108.01 g/mol. IUPAC: propane-1,3-dithiol.
Chemical Property Profile of 1,3-丙二硫醇
Property Insights of 1,3-丙二硫醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-丙二硫醇. With a topological polar surface area (TPSA) of 2.0 Ų, 1,3-丙二硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-丙二硫醇 has 2 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 1,3-丙二硫醇?
The CAS number of 1,3-丙二硫醇 is 109-80-8.
What is the molecular formula of 1,3-丙二硫醇?
The molecular formula of 1,3-丙二硫醇 is C3H8S2.
What is the molecular weight of 1,3-丙二硫醇?
The molecular weight of 1,3-丙二硫醇 is 108.01 g/mol.
Where can I buy 1,3-丙二硫醇?
You can request a quote for 1,3-丙二硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-丙二硫醇?
Yes, KEHONG BIO provides custom synthesis services for 1,3-丙二硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.