2-Propanethiol
TL;DR: 2-Propanethiol (CAS 75-33-2) is a chemical compound with molecular formula C3H8S and molecular weight 76.03467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propane-2-thiol
Also Known As: 2-Propanethiol, Propane-2-thiol, ISOPROPYL MERCAPTAN, Isopropanethiol, Isopropylthiol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H8S |
| Molecular Weight | 76.03467 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 76.03467 Da |
| Heavy Atoms | 4 |
| Complexity | 10.0 |
| Melting Point | -202.8 °F (USCG, 1999) |
| Boiling Point | 126.6 °F at 760 mmHg (USCG, 1999) |
| Density | 0.814 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | -30 °F (USCG, 1999) |
| Vapor Pressure | 277.0 [mmHg] |
| Refractive Index | Index of refraction = 1.4255 at 20 °C/D |
| Solubility | Miscible in ethanol, ether; very soluble in acetone; soluble in chloroform |
| SMILES | CC(C)S |
| InChIKey | KJRCEJOSASVSRA-UHFFFAOYSA-N |
Product Description
Applications: 2-Propanethiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 2-Propanethiol (CAS 75-33-2) has the molecular formula C3H8S and a molecular weight of 76.03 g/mol. Reported properties include a density of 0.814 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Miscible in ethanol, ether; very soluble in acetone; soluble in chloroform. Synonyms include 2-Propanethiol and Propane-2-thiol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Propanethiol
Property Insights of 2-Propanethiol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Propanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanethiol 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
What is the CAS number of 2-Propanethiol?
The CAS number of 2-Propanethiol is 75-33-2.
What is the molecular formula of 2-Propanethiol?
The molecular formula of 2-Propanethiol is C3H8S.
What is the molecular weight of 2-Propanethiol?
The molecular weight of 2-Propanethiol is 76.03467 g/mol.
What are the applications of 2-Propanethiol?
2-Propanethiol is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Propanethiol?
You can request a quote for 2-Propanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propanethiol?
Yes, CoreyChem provides custom synthesis services for 2-Propanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.