異丙硫醇
TL;DR: 異丙硫醇 (CAS 75-33-2) is a chemical compound with molecular formula C3H8S and molecular weight 76.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
異丙硫醇
propane-2-thiol
Also Known As: 2-Propanethiol, Propane-2-thiol, ISOPROPYL MERCAPTAN, Isopropanethiol, Isopropylthiol
| Molecular Formula | C3H8S |
|---|---|
| Molecular Weight | 76.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.03467 |
| Heavy Atoms | 4 |
| Complexity | 10.0 |
| Melting Point | -130.4 °C |
| Boiling Point | 52.6 °C at 760 mmHg |
| Density | 0.814 at 20.0 °C - Less dense than water; will float |
| Solubility | Miscible in ethanol, ether; very soluble in acetone; soluble in chloroform |
| Flash Point | -34.4 °C |
| Vapor Pressure | 277.0 [mmHg] |
| Refractive Index | = 1.4255 at 20 °C |
Chemical Identifiers
| CAS Number | 75-33-2 |
|---|---|
| SMILES | CC(C)S |
| InChIKey | KJRCEJOSASVSRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
異丙硫醇 (CAS 75-33-2), with molecular formula C3H8S and molecular weight 76.03 g/mol. IUPAC: propane-2-thiol.
Chemical Property Profile of 異丙硫醇
Property Insights of 異丙硫醇
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 異丙硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 異丙硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 異丙硫醇 has 1 hydrogen bond donor(s) and 1 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 異丙硫醇?
The CAS number of 異丙硫醇 is 75-33-2.
What is the molecular formula of 異丙硫醇?
The molecular formula of 異丙硫醇 is C3H8S.
What is the molecular weight of 異丙硫醇?
The molecular weight of 異丙硫醇 is 76.03 g/mol.
Where can I buy 異丙硫醇?
You can request a quote for 異丙硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 異丙硫醇?
Yes, KEHONG BIO provides custom synthesis services for 異丙硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.