Butyl methyl sulfide
TL;DR: Butyl methyl sulfide (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.
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
Butyl methyl sulfide (CAS 628-29-5), with molecular formula C5H12S and molecular weight 104.07 g/mol. IUPAC: 1-methylsulfanylbutane.
Chemical Property Profile of Butyl methyl sulfide
Property Insights of Butyl methyl sulfide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl methyl sulfide. With a topological polar surface area (TPSA) of 25.3 Ų, Butyl methyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl methyl sulfide 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 Butyl methyl sulfide?
The CAS number of Butyl methyl sulfide is 628-29-5.
What is the molecular formula of Butyl methyl sulfide?
The molecular formula of Butyl methyl sulfide is C5H12S.
What is the molecular weight of Butyl methyl sulfide?
The molecular weight of Butyl methyl sulfide is 104.07 g/mol.
Where can I buy Butyl methyl sulfide?
You can request a quote for Butyl methyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl methyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Butyl methyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.