3-Mercaptohexanol
TL;DR: 3-Mercaptohexanol (CAS 51755-83-0) is a chemical compound with molecular formula C6H14OS and molecular weight 134.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylhexan-1-ol
Also Known As: 3-mercapto-1-hexanol, 3-mercaptohexan-1-ol, 3-Mercaptohexanol, 3-sulfanylhexan-1-ol, 1-Hexanol, 3-mercapto-
| Molecular Formula | C6H14OS |
|---|---|
| Molecular Weight | 134.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 21.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.07654 |
| Heavy Atoms | 8 |
| Complexity | 47.0 |
Chemical Identifiers
| CAS Number | 51755-83-0 |
|---|---|
| SMILES | CCCC(CCO)S |
| InChIKey | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Mercaptohexanol (CAS 51755-83-0), with molecular formula C6H14OS and molecular weight 134.08 g/mol. IUPAC: 3-sulfanylhexan-1-ol.
Chemical Property Profile of 3-Mercaptohexanol
Property Insights of 3-Mercaptohexanol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercaptohexanol. With a topological polar surface area (TPSA) of 21.2 Ų, 3-Mercaptohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercaptohexanol 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-Mercaptohexanol?
The CAS number of 3-Mercaptohexanol is 51755-83-0.
What is the molecular formula of 3-Mercaptohexanol?
The molecular formula of 3-Mercaptohexanol is C6H14OS.
What is the molecular weight of 3-Mercaptohexanol?
The molecular weight of 3-Mercaptohexanol is 134.08 g/mol.
Where can I buy 3-Mercaptohexanol?
You can request a quote for 3-Mercaptohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercaptohexanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercaptohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.