Isoamyl mercaptan
TL;DR: Isoamyl mercaptan (CAS 541-31-1) is a chemical compound with molecular formula C5H12S and molecular weight 104.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutane-1-thiol
Also Known As: 3-Methyl-1-butanethiol, Isoamyl mercaptan, 3-Methylbutane-1-thiol, Isopentyl mercaptan, Isopentanethiol
| Molecular Formula | C5H12S |
|---|---|
| Molecular Weight | 104.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 104.06597 |
| Heavy Atoms | 6 |
| Complexity | 25.0 |
| Boiling Point | 119.00 to 120.00 °C. @ 760.00 mm Hg |
| Density | 0.831- 0.838 |
| Solubility | soluble in oil and alcohol |
| Refractive Index | 1.439-1.447 |
Chemical Identifiers
| CAS Number | 541-31-1 |
|---|---|
| SMILES | CC(C)CCS |
| InChIKey | GIJGXNFNUUFEGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl mercaptan (CAS 541-31-1), with molecular formula C5H12S and molecular weight 104.07 g/mol. IUPAC: 3-methylbutane-1-thiol.
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
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 104.07 g/mol.
Where can I buy Isoamyl mercaptan?
You can request a quote for Isoamyl mercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl mercaptan?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.