丁基甲基硫醚
TL;DR: 丁基甲基硫醚 (CAS 628-29-5) is a chemical compound with molecular formula C5H12S and molecular weight 104.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基甲基硫醚
1-methylsulfanylbutane
Also Known As: Butyl methyl sulfide, n-Butyl methyl sulfide, 1-methylsulfanylbutane, Butane, 1-(methylthio)-, Butyl methyl sulphide
| Molecular Formula | C5H12S |
|---|---|
| Molecular Weight | 104.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.06597 |
| Heavy Atoms | 6 |
| Complexity | 19.0 |
Chemical Identifiers
| CAS Number | 628-29-5 |
|---|---|
| SMILES | CCCCSC |
| InChIKey | WCXXISMIJBRDQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基甲基硫醚 (CAS 628-29-5), with molecular formula C5H12S and molecular weight 104.07 g/mol. IUPAC: 1-methylsulfanylbutane.
Chemical Property Profile of 丁基甲基硫醚
Property Insights of 丁基甲基硫醚
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基甲基硫醚. With a topological polar surface area (TPSA) of 25.3 Ų, 丁基甲基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基甲基硫醚 has 0 hydrogen bond donor(s) and 1 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 丁基甲基硫醚?
The CAS number of 丁基甲基硫醚 is 628-29-5.
What is the molecular formula of 丁基甲基硫醚?
The molecular formula of 丁基甲基硫醚 is C5H12S.
What is the molecular weight of 丁基甲基硫醚?
The molecular weight of 丁基甲基硫醚 is 104.07 g/mol.
Where can I buy 丁基甲基硫醚?
You can request a quote for 丁基甲基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基甲基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 丁基甲基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.