3-Mercapto-2-ethylpropanol
TL;DR: 3-Mercapto-2-ethylpropanol (CAS 144686-31-7) is a chemical compound with molecular formula C5H12OS and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(sulfanylmethyl)butan-1-ol
Also Known As: 3-mercapto-2-ethylpropanol, 2-(sulfanylmethyl)butan-1-ol, 1-Butanol, 2-(mercaptomethyl)-, 2-(mercaptomethyl)butan-1-ol, RefChem:280291
| Molecular Formula | C5H12OS |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 0.9347 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 120.06088 |
| Heavy Atoms | 7 |
| Complexity | 29.551619 |
Chemical Identifiers
| CAS Number | 144686-31-7 |
|---|---|
| SMILES | CCC(CO)CS |
Product Overview
3-Mercapto-2-ethylpropanol (CAS 144686-31-7), with molecular formula C5H12OS and molecular weight 120.06 g/mol. IUPAC: 2-(sulfanylmethyl)butan-1-ol.
Chemical Property Profile of 3-Mercapto-2-ethylpropanol
Property Insights of 3-Mercapto-2-ethylpropanol
The XLogP value of 0.9347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-2-ethylpropanol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Mercapto-2-ethylpropanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-2-ethylpropanol has 2 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 3-Mercapto-2-ethylpropanol?
The CAS number of 3-Mercapto-2-ethylpropanol is 144686-31-7.
What is the molecular formula of 3-Mercapto-2-ethylpropanol?
The molecular formula of 3-Mercapto-2-ethylpropanol is C5H12OS.
What is the molecular weight of 3-Mercapto-2-ethylpropanol?
The molecular weight of 3-Mercapto-2-ethylpropanol is 120.06 g/mol.
Where can I buy 3-Mercapto-2-ethylpropanol?
You can request a quote for 3-Mercapto-2-ethylpropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercapto-2-ethylpropanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-2-ethylpropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.