3-(Methylthio)-1-hexanol
TL;DR: 3-(Methylthio)-1-hexanol (CAS 51755-66-9) 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.
3-methylsulfanylhexan-1-ol
Also Known As: 3-(Methylthio)-1-hexanol, 3-(Methylthio)hexan-1-ol, 3-(Methylthio)hexanol, 3-methylsulfanylhexan-1-ol, 1-Hexanol, 3-(methylthio)-
| Molecular Formula | C7H16OS |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 148.0922 |
| Heavy Atoms | 9 |
| Complexity | 56.0 |
| Density | 0.964-0.974 (20°) |
| Solubility | insoluble in water |
| Refractive Index | 1.474-1.489 |
Chemical Identifiers
| CAS Number | 51755-66-9 |
|---|---|
| SMILES | CCCC(CCO)SC |
| InChIKey | JSASXSHMJYRPCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methylthio)-1-hexanol (CAS 51755-66-9), with molecular formula C7H16OS and molecular weight 148.09 g/mol. IUPAC: 3-methylsulfanylhexan-1-ol.
Chemical Property Profile of 3-(Methylthio)-1-hexanol
Property Insights of 3-(Methylthio)-1-hexanol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylthio)-1-hexanol. With a topological polar surface area (TPSA) of 45.5 Ų, 3-(Methylthio)-1-hexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Methylthio)-1-hexanol 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 3-(Methylthio)-1-hexanol?
The CAS number of 3-(Methylthio)-1-hexanol is 51755-66-9.
What is the molecular formula of 3-(Methylthio)-1-hexanol?
The molecular formula of 3-(Methylthio)-1-hexanol is C7H16OS.
What is the molecular weight of 3-(Methylthio)-1-hexanol?
The molecular weight of 3-(Methylthio)-1-hexanol is 148.09 g/mol.
Where can I buy 3-(Methylthio)-1-hexanol?
You can request a quote for 3-(Methylthio)-1-hexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Methylthio)-1-hexanol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methylthio)-1-hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.