1-Pentanethiol
TL;DR: 1-Pentanethiol (CAS 110-66-7) is a chemical compound with molecular formula C5H12S and molecular weight 104.06597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentane-1-thiol
Also Known As: 1-Pentanethiol, Pentane-1-thiol, n-Amyl mercaptan, Pentyl mercaptan, Pentanethiol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12S |
| Molecular Weight | 104.06597 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.06597 Da |
| Heavy Atoms | 6 |
| Complexity | 19.0 |
| Melting Point | -105 °F (USCG, 1999) |
| Boiling Point | 248 °F at 760 mmHg (USCG, 1999) |
| Density | 0.8392 at 77 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 65 °F (USCG, 1999) |
| Vapor Pressure | 14 mmHg at 77 °F (NIOSH, 2024) |
| Refractive Index | Index of refraction: 1.4499 at 20 °C/D |
| Solubility | Insoluble (NIOSH, 2024) |
| SMILES | CCCCCS |
| InChIKey | ZRKMQKLGEQPLNS-UHFFFAOYSA-N |
Product Description
Applications: 1-Pentanethiol 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. CoreyChem supplies 1-Pentanethiol (CAS 110-66-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 1-Pentanethiol (CAS 110-66-7) has the molecular formula C5H12S and a molecular weight of 104.07 g/mol. Reported properties include a density of 0.8392 at 77 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Insoluble (NIOSH, 2024). It is also known as 1-Pentanethiol and Pentane-1-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 1-Pentanethiol
Property Insights of 1-Pentanethiol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pentanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, 1-Pentanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pentanethiol 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 1-Pentanethiol?
The CAS number of 1-Pentanethiol is 110-66-7.
What is the molecular formula of 1-Pentanethiol?
The molecular formula of 1-Pentanethiol is C5H12S.
What is the molecular weight of 1-Pentanethiol?
The molecular weight of 1-Pentanethiol is 104.06597 g/mol.
What are the applications of 1-Pentanethiol?
1-Pentanethiol 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. CoreyChem supplies 1-Pentanethiol (CAS 110-66-7) with...
Where can I buy 1-Pentanethiol?
You can request a quote for 1-Pentanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Pentanethiol?
Yes, CoreyChem provides custom synthesis services for 1-Pentanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.