Butanethiol
TL;DR: Butanethiol (CAS 109-79-5) is a chemical compound with molecular formula C4H10S and molecular weight 90.05032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butane-1-thiol
Also Known As: 1-Butanethiol, Butanethiol, butane-1-thiol, n-Butyl mercaptan, BUTYL MERCAPTAN
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H10S |
| Molecular Weight | 90.05032 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 90.05032 Da |
| Heavy Atoms | 5 |
| Complexity | 13.0 |
| Melting Point | -176.2 °F (USCG, 1999) |
| Boiling Point | 229.3 °F at 760 mmHg (USCG, 1999) |
| Density | 0.841 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 55 °F (USCG, 1999) |
| Vapor Pressure | 35 mmHg (NIOSH, 2024) |
| Refractive Index | MAX ABSORPTION (ISOOCTANE): 225-230 NM (LOG E= 2.20); INDEX OF REFRACTION: 1.4440 @ 20 °C/D |
| Solubility | 0.06 % (NIOSH, 2024) |
| SMILES | CCCCS |
| InChIKey | WQAQPCDUOCURKW-UHFFFAOYSA-N |
Product Description
Applications: Butanethiol 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).
Butanethiol is a heterocyclic building block identified by CAS number 109-79-5 and the molecular formula C4H10S and a molecular weight of 90.05 g/mol. Physically, the compound has a density of 0.841 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 0.06 % (NIOSH, 2024). Synonyms include 1-Butanethiol and Butanethiol.
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 Butanethiol
Property Insights of Butanethiol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, Butanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethiol 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 Butanethiol?
The CAS number of Butanethiol is 109-79-5.
What is the molecular formula of Butanethiol?
The molecular formula of Butanethiol is C4H10S.
What is the molecular weight of Butanethiol?
The molecular weight of Butanethiol is 90.05032 g/mol.
What are the applications of Butanethiol?
Butanethiol 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 Butanethiol?
You can request a quote for Butanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanethiol?
Yes, CoreyChem provides custom synthesis services for Butanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.