Isoamyl mercaptan
TL;DR: Isoamyl mercaptan (CAS 541-31-1) 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.
3-methylbutane-1-thiol
Also Known As: 3-Methyl-1-butanethiol, Isoamyl mercaptan, 3-Methylbutane-1-thiol, Isopentyl mercaptan, Isopentanethiol
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12S |
| Molecular Weight | 104.06597 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.06597 Da |
| Heavy Atoms | 6 |
| Complexity | 25.0 |
| Boiling Point | 119.00 to 120.00 °C. @ 760.00 mm Hg |
| Density | 0.831- 0.838 |
| Refractive Index | 1.439-1.447 |
| Solubility | soluble in oil and alcohol |
| SMILES | CC(C)CCS |
| InChIKey | GIJGXNFNUUFEGH-UHFFFAOYSA-N |
Product Description
Applications: Isoamyl 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 Isoamyl mercaptan (CAS 541-31-1) 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, Isoamyl mercaptan (CAS 541-31-1) has the molecular formula C5H12S and a molecular weight of 104.07 g/mol. Reported properties include a density of 0.831- 0.838 g/cm³, a solubility: soluble in oil and alcohol. It is also known as 3-Methyl-1-butanethiol and Isoamyl 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 Isoamyl mercaptan
Property Insights of Isoamyl mercaptan
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl mercaptan. With a topological polar surface area (TPSA) of 1.0 Ų, Isoamyl mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl 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 Isoamyl mercaptan?
The CAS number of Isoamyl mercaptan is 541-31-1.
What is the molecular formula of Isoamyl mercaptan?
The molecular formula of Isoamyl mercaptan is C5H12S.
What is the molecular weight of Isoamyl mercaptan?
The molecular weight of Isoamyl mercaptan is 104.06597 g/mol.
What are the applications of Isoamyl mercaptan?
Isoamyl 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 Isoamyl mercaptan (CAS 541-31-1) with...
Where can I buy Isoamyl mercaptan?
You can request a quote for Isoamyl mercaptan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl mercaptan?
Yes, CoreyChem provides custom synthesis services for Isoamyl mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.