3-甲基-2-丁烯-1-硫醇
TL;DR: 3-甲基-2-丁烯-1-硫醇 (CAS 5287-45-6) is a chemical compound with molecular formula C5H10S and molecular weight 102.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基-2-丁烯-1-硫醇
3-methylbut-2-ene-1-thiol
Also Known As: Prenylthiol, Prenyl mercaptan, 3-methylbut-2-ene-1-thiol, 3-Methyl-2-butene-1-thiol, 3-methyl-2-buten-1-thiol
| Molecular Formula | C5H10S |
|---|---|
| Molecular Weight | 102.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.05032 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
| Boiling Point | 128.00 to 135.00 °C. @ 760.00 mm Hg |
| Density | 0.884-0.885 |
| Solubility | insoluble in water; soluble in ethanol, triacetin and heptane |
| Refractive Index | 1.483-1.493 |
Chemical Identifiers
| CAS Number | 5287-45-6 |
|---|---|
| SMILES | CC(=CCS)C |
| InChIKey | GYDPOKGOQFTYGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-2-丁烯-1-硫醇 (CAS 5287-45-6), with molecular formula C5H10S and molecular weight 102.05 g/mol. IUPAC: 3-methylbut-2-ene-1-thiol.
Chemical Property Profile of 3-甲基-2-丁烯-1-硫醇
Property Insights of 3-甲基-2-丁烯-1-硫醇
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-2-丁烯-1-硫醇. With a topological polar surface area (TPSA) of 1.0 Ų, 3-甲基-2-丁烯-1-硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基-2-丁烯-1-硫醇 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 3-甲基-2-丁烯-1-硫醇?
The CAS number of 3-甲基-2-丁烯-1-硫醇 is 5287-45-6.
What is the molecular formula of 3-甲基-2-丁烯-1-硫醇?
The molecular formula of 3-甲基-2-丁烯-1-硫醇 is C5H10S.
What is the molecular weight of 3-甲基-2-丁烯-1-硫醇?
The molecular weight of 3-甲基-2-丁烯-1-硫醇 is 102.05 g/mol.
Where can I buy 3-甲基-2-丁烯-1-硫醇?
You can request a quote for 3-甲基-2-丁烯-1-硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-2-丁烯-1-硫醇?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-2-丁烯-1-硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.