二巯丙醇
TL;DR: 二巯丙醇 (CAS 59-52-9) is a chemical compound with molecular formula C3H8OS2 and molecular weight 124.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二巯丙醇
2,3-bis(sulfanyl)propan-1-ol
Also Known As: DIMERCAPROL, 2,3-Dimercapto-1-propanol, Sulfactin, Dithioglycerine, Dicaptol
| Molecular Formula | C3H8OS2 |
|---|---|
| Molecular Weight | 124.00 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 22.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.001656 |
| Heavy Atoms | 6 |
| Complexity | 32.0 |
| Melting Point | < 25 °C |
| Boiling Point | 120.0 °C at 15 mmHg |
| Density | 1.2463 at 20.0 °C |
| Solubility | 10 to 50 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | greater than 112.8 °C |
| Vapor Pressure | 4.92 mmHg at 25.0 °C |
| Refractive Index | 1.5720 at 25 °C |
Chemical Identifiers
| CAS Number | 59-52-9 |
|---|---|
| SMILES | C(C(CS)S)O |
| InChIKey | WQABCVAJNWAXTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二巯丙醇 (CAS 59-52-9), with molecular formula C3H8OS2 and molecular weight 124.00 g/mol. IUPAC: 2,3-bis(sulfanyl)propan-1-ol.
Chemical Property Profile of 二巯丙醇
Property Insights of 二巯丙醇
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二巯丙醇. With a topological polar surface area (TPSA) of 22.2 Ų, 二巯丙醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二巯基丙醇 has 3 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 二巯基丙醇?
The CAS number of 二巯基丙醇 is 59-52-9.
What is the molecular formula of 二巯基丙醇?
The molecular formula of 二巯基丙醇 is C3H8OS2.
What is the molecular weight of 二巯基丙醇?
The molecular weight of 二巯基丙醇 is 124.00 g/mol.
Where can I buy 二巯基丙醇?
You can request a quote for 二巯基丙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二巯基丙醇?
Yes, KEHONG BIO provides custom synthesis services for 二巯基丙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.