4-(Methylthio)butanol
TL;DR: 4-(Methylthio)butanol (CAS 20582-85-8) 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.
4-methylsulfanylbutan-1-ol
Also Known As: 4-(Methylthio)butanol, 4-(Methylthio)-1-butanol, 4-methylsulfanylbutan-1-ol, 4-(methylsulfanyl)butan-1-ol, 4-methylthiobutan-1-ol
| Molecular Formula | C5H12OS |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 120.06088 |
| Heavy Atoms | 7 |
| Complexity | 31.0 |
Chemical Identifiers
| CAS Number | 20582-85-8 |
|---|---|
| SMILES | CSCCCCO |
| InChIKey | JNTVUHZXIJFHAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methylthio)butanol (CAS 20582-85-8), with molecular formula C5H12OS and molecular weight 120.06 g/mol. IUPAC: 4-methylsulfanylbutan-1-ol.
Chemical Property Profile of 4-(Methylthio)butanol
Property Insights of 4-(Methylthio)butanol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylthio)butanol. With a topological polar surface area (TPSA) of 45.5 Ų, 4-(Methylthio)butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Methylthio)butanol 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 4-(Methylthio)butanol?
The CAS number of 4-(Methylthio)butanol is 20582-85-8.
What is the molecular formula of 4-(Methylthio)butanol?
The molecular formula of 4-(Methylthio)butanol is C5H12OS.
What is the molecular weight of 4-(Methylthio)butanol?
The molecular weight of 4-(Methylthio)butanol is 120.06 g/mol.
Where can I buy 4-(Methylthio)butanol?
You can request a quote for 4-(Methylthio)butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.