1,2-丙二硫醇
TL;DR: 1,2-丙二硫醇 (CAS 814-67-5) 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.
1,2-丙二硫醇
propane-1,2-dithiol
Also Known As: 1,2-PROPANEDITHIOL, Propane-1,2-dithiol, 1,2-Dimercaptopropane, 1,2-Dithiolpropane, 2,3-Dimercaptopropane
| 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 | 1 |
| Exact Mass | 108.006744 |
| Heavy Atoms | 5 |
| Complexity | 20.0 |
| Boiling Point | 152.00 °C. @ 760.00 mm Hg |
| Density | 1.075-1.081 |
| Solubility | insoluble in water; miscible in oil |
| Refractive Index | 1.531-1.541 |
Chemical Identifiers
| CAS Number | 814-67-5 |
|---|---|
| SMILES | CC(CS)S |
| InChIKey | YGKHJWTVMIMEPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-丙二硫醇 (CAS 814-67-5), with molecular formula C3H8S2 and molecular weight 108.01 g/mol. IUPAC: propane-1,2-dithiol.
Chemical Property Profile of 1,2-丙二硫醇
Property Insights of 1,2-丙二硫醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-丙二硫醇. With a topological polar surface area (TPSA) of 2.0 Ų, 1,2-丙二硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-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 1,2-丙二硫醇?
The CAS number of 1,2-丙二硫醇 is 814-67-5.
What is the molecular formula of 1,2-丙二硫醇?
The molecular formula of 1,2-丙二硫醇 is C3H8S2.
What is the molecular weight of 1,2-丙二硫醇?
The molecular weight of 1,2-丙二硫醇 is 108.01 g/mol.
Where can I buy 1,2-丙二硫醇?
You can request a quote for 1,2-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 1,2-丙二硫醇?
Yes, KEHONG BIO provides custom synthesis services for 1,2-丙二硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.