2-Butanethiol
TL;DR: 2-Butanethiol (CAS 513-53-1) 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.
butane-2-thiol
Also Known As: 2-Butanethiol, butane-2-thiol, SEC-BUTYL MERCAPTAN, sec-Butanethiol, 2-Mercaptobutane
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 | 1.8 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 90.05032 Da |
| Heavy Atoms | 5 |
| Complexity | 19.0 |
| Melting Point | -165 °C |
| Boiling Point | 84-85 °C |
| Density | 0.8299 at 17 °C |
| Flash Point | -10 °F (-23 °C) (Closed cup) |
| Vapor Pressure | 80.7 [mmHg] |
| Refractive Index | Index of refraction: 1.4363 at 20 °C/D |
| Solubility | Very sol in alc, ether, liquid hydrogen sulfide |
| SMILES | CCC(C)S |
| InChIKey | LOCHFZBWPCLPAN-UHFFFAOYSA-N |
Product Description
Applications: 2-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).
2-Butanethiol (CAS 513-53-1) is a heterocyclic building block with the molecular formula C4H10S and a molecular weight of 90.05 g/mol. Key physical properties include a density of 0.8299 at 17 °C g/cm³, a solubility: Very sol in alc, ether, liquid hydrogen sulfide. Synonyms include 2-Butanethiol and butane-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-Butanethiol
Property Insights of 2-Butanethiol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanethiol. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Butanethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Butanethiol?
The CAS number of 2-Butanethiol is 513-53-1.
What is the molecular formula of 2-Butanethiol?
The molecular formula of 2-Butanethiol is C4H10S.
What is the molecular weight of 2-Butanethiol?
The molecular weight of 2-Butanethiol is 90.05032 g/mol.
What are the applications of 2-Butanethiol?
2-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 2-Butanethiol?
You can request a quote for 2-Butanethiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butanethiol?
Yes, CoreyChem provides custom synthesis services for 2-Butanethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.