tert-Butyl mercaptan
TL;DR: tert-Butyl mercaptan (CAS 75-66-1) 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.
2-methylpropane-2-thiol
Also Known As: 2-Methyl-2-propanethiol, tert-Butyl mercaptan, tert-Butanethiol, tert-Butylthiol, 2-Methylpropane-2-thiol
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 | 1.5 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 90.05032 Da |
| Heavy Atoms | 5 |
| Complexity | 25.0 |
| Melting Point | -32 °F (ICSC, 2024) |
| Boiling Point | 149-153 °F at 760 mmHg (NFPA, 2010) |
| Density | 0.8 (NFPA, 2010) - Less dense than water; will float |
| Flash Point | less than -20 °F (NFPA, 2010) |
| Vapor Pressure | 142.5 mmHg at 68 °F (ICSC, 2024) |
| Refractive Index | Index of refraction: 1.41984 at 25 °C/D |
| Solubility | Insoluble (NFPA, 2010) |
| SMILES | CC(C)(C)S |
| InChIKey | WMXCDAVJEZZYLT-UHFFFAOYSA-N |
Product Description
Applications: tert-Butyl mercaptan 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 tert-Butyl mercaptan (CAS 75-66-1) 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, tert-Butyl mercaptan (CAS 75-66-1) has the molecular formula C4H10S and a molecular weight of 90.05 g/mol. Reported properties include a density of 0.8 (NFPA, 2010) - Less dense than water; will float g/cm³, a solubility: Insoluble (NFPA, 2010). It is also known as 2-Methyl-2-propanethiol and tert-Butyl mercaptan.
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 tert-Butyl mercaptan
Property Insights of tert-Butyl mercaptan
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl mercaptan. With a topological polar surface area (TPSA) of 1.0 Ų, tert-Butyl mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl mercaptan 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 tert-Butyl mercaptan?
The CAS number of tert-Butyl mercaptan is 75-66-1.
What is the molecular formula of tert-Butyl mercaptan?
The molecular formula of tert-Butyl mercaptan is C4H10S.
What is the molecular weight of tert-Butyl mercaptan?
The molecular weight of tert-Butyl mercaptan is 90.05032 g/mol.
What are the applications of tert-Butyl mercaptan?
tert-Butyl mercaptan 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 tert-Butyl mercaptan (CAS 75-66-1)...
Where can I buy tert-Butyl mercaptan?
You can request a quote for tert-Butyl mercaptan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl mercaptan?
Yes, CoreyChem provides custom synthesis services for tert-Butyl mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.