3-Mercapto-2-butylpropanol
TL;DR: 3-Mercapto-2-butylpropanol (CAS 87897-58-3) is a chemical compound with molecular formula C7H16OS and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(sulfanylmethyl)hexan-1-ol
Also Known As: 3-mercapto-2-butylpropanol, 2-(mercaptomethyl)hexan-1-ol, 2-(sulfanylmethyl)hexan-1-ol
| Molecular Formula | C7H16OS |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 1.7149 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.0922 |
| Heavy Atoms | 9 |
| Complexity | 52.877842 |
Chemical Identifiers
| CAS Number | 87897-58-3 |
|---|---|
| SMILES | CCCCC(CO)CS |
Product Overview
3-Mercapto-2-butylpropanol (CAS 87897-58-3), with molecular formula C7H16OS and molecular weight 148.09 g/mol. IUPAC: 2-(sulfanylmethyl)hexan-1-ol.
Chemical Property Profile of 3-Mercapto-2-butylpropanol
Property Insights of 3-Mercapto-2-butylpropanol
The XLogP value of 1.7149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-2-butylpropanol. With a topological polar surface area (TPSA) of 20.23 Ų, 3-Mercapto-2-butylpropanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-2-butylpropanol 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-butylpropanol?
The CAS number of 3-Mercapto-2-butylpropanol is 87897-58-3.
What is the molecular formula of 3-Mercapto-2-butylpropanol?
The molecular formula of 3-Mercapto-2-butylpropanol is C7H16OS.
What is the molecular weight of 3-Mercapto-2-butylpropanol?
The molecular weight of 3-Mercapto-2-butylpropanol is 148.09 g/mol.
Where can I buy 3-Mercapto-2-butylpropanol?
You can request a quote for 3-Mercapto-2-butylpropanol 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-butylpropanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-2-butylpropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.