2-((3-Methylbut-2-enyl)thio)ethanol
TL;DR: 2-((3-Methylbut-2-enyl)thio)ethanol (CAS 82010-92-2) is a chemical compound with molecular formula C7H14OS and molecular weight 146.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbut-2-enylsulfanyl)ethanol
Also Known As: 2-[ thio]ethanol, EINECS 279-887-3, 2-((3-Methylbut-2-enyl)thio)ethanol, 2-(3-methylbut-2-enylsulfanyl)ethanol, 2-[(3-Methyl-2-butenyl)thio]ethanol
| Molecular Formula | C7H14OS |
|---|---|
| Molecular Weight | 146.08 g/mol |
| LogP | 1.6781 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.07654 |
| Heavy Atoms | 9 |
| Complexity | 84.91694 |
Chemical Identifiers
| CAS Number | 82010-92-2 |
|---|---|
| SMILES | CC(=CCSCCO)C |
Product Overview
2-((3-Methylbut-2-enyl)thio)ethanol (CAS 82010-92-2), with molecular formula C7H14OS and molecular weight 146.08 g/mol. IUPAC: 2-(3-methylbut-2-enylsulfanyl)ethanol.
Chemical Property Profile of 2-((3-Methylbut-2-enyl)thio)ethanol
Property Insights of 2-((3-Methylbut-2-enyl)thio)ethanol
The XLogP value of 1.6781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Methylbut-2-enyl)thio)ethanol. With a topological polar surface area (TPSA) of 20.23 Ų, 2-((3-Methylbut-2-enyl)thio)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Methylbut-2-enyl)thio)ethanol has 1 hydrogen bond donor(s) and 2 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 2-((3-Methylbut-2-enyl)thio)ethanol?
The CAS number of 2-((3-Methylbut-2-enyl)thio)ethanol is 82010-92-2.
What is the molecular formula of 2-((3-Methylbut-2-enyl)thio)ethanol?
The molecular formula of 2-((3-Methylbut-2-enyl)thio)ethanol is C7H14OS.
What is the molecular weight of 2-((3-Methylbut-2-enyl)thio)ethanol?
The molecular weight of 2-((3-Methylbut-2-enyl)thio)ethanol is 146.08 g/mol.
Where can I buy 2-((3-Methylbut-2-enyl)thio)ethanol?
You can request a quote for 2-((3-Methylbut-2-enyl)thio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Methylbut-2-enyl)thio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Methylbut-2-enyl)thio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.