1-Heptanethiol
TL;DR: 1-Heptanethiol (CAS 1639-09-4) is a chemical compound with molecular formula C7H16S and molecular weight 132.09727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptane-1-thiol
Also Known As: 1-HEPTANETHIOL, heptane-1-thiol, Heptyl mercaptan, Heptylthiol, n-Heptylmercaptan
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H16S |
| Molecular Weight | 132.09727 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 132.09727 Da |
| Heavy Atoms | 8 |
| Complexity | 35.0 |
| Melting Point | -46 °F (NIOSH, 2024) |
| Boiling Point | 351 °F at 760 mmHg (NIOSH, 2024) |
| Density | 0.84 (NIOSH, 2024) - Less dense than water; will float |
| Flash Point | 115 °F (NIOSH, 2024) |
| Vapor Pressure | 1.31 [mmHg] |
| Refractive Index | 1.497-1.503 |
| Solubility | Insoluble (NIOSH, 2024) |
| SMILES | CCCCCCCS |
| InChIKey | VPIAKHNXCOTPAY-UHFFFAOYSA-N |
Product Description
Applications: 1-Heptanethiol 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-Heptanethiol (CAS 1639-09-4) 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-Heptanethiol (CAS 1639-09-4) has the molecular formula C7H16S and a molecular weight of 132.1 g/mol. Reported properties include a density of 0.84 (NIOSH, 2024) - Less dense than water; will float g/cm³, a solubility: Insoluble (NIOSH, 2024). It is also known as 1-HEPTANETHIOL and heptane-1-thiol.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-Heptanethiol
Property Insights of 1-Heptanethiol
The XLogP value of 3.9 indicates that 1-Heptanethiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 1-Heptanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptanethiol 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-Heptanethiol?
The CAS number of 1-Heptanethiol is 1639-09-4.
What is the molecular formula of 1-Heptanethiol?
The molecular formula of 1-Heptanethiol is C7H16S.
What is the molecular weight of 1-Heptanethiol?
The molecular weight of 1-Heptanethiol is 132.09727 g/mol.
What are the applications of 1-Heptanethiol?
1-Heptanethiol 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-Heptanethiol (CAS 1639-09-4) with...
Where can I buy 1-Heptanethiol?
You can request a quote for 1-Heptanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Heptanethiol?
Yes, CoreyChem provides custom synthesis services for 1-Heptanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.