Butyl methyl trisulfide
TL;DR: Butyl methyl trisulfide (CAS 120047-92-9) is a chemical compound with molecular formula C5H12S3 and molecular weight 168.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(methyltrisulfanyl)butane
Also Known As: Butyl methyl trisulfide, Trisulfide, butylmethyl, Butylmethyl trisulfide, 1-(methyltrisulfanyl)butane, Trisulfide,butylmethyl
| Molecular Formula | C5H12S3 |
|---|---|
| Molecular Weight | 168.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.01012 |
| Heavy Atoms | 8 |
| Complexity | 38.0 |
Chemical Identifiers
| CAS Number | 120047-92-9 |
|---|---|
| SMILES | CCCCSSSC |
| InChIKey | UERQNAZBAUOZKO-UHFFFAOYSA-N |
Product Overview
Butyl methyl trisulfide (CAS 120047-92-9), with molecular formula C5H12S3 and molecular weight 168.01 g/mol. IUPAC: 1-(methyltrisulfanyl)butane.
Chemical Property Profile of Butyl methyl trisulfide
Property Insights of Butyl methyl trisulfide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl methyl trisulfide. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl methyl trisulfide. Following Lipinski's Rule of Five, Butyl methyl trisulfide has 0 hydrogen bond donor(s) and 3 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 trisulfide?
The CAS number of Butyl methyl trisulfide is 120047-92-9.
What is the molecular formula of Butyl methyl trisulfide?
The molecular formula of Butyl methyl trisulfide is C5H12S3.
What is the molecular weight of Butyl methyl trisulfide?
The molecular weight of Butyl methyl trisulfide is 168.01 g/mol.
Where can I buy Butyl methyl trisulfide?
You can request a quote for Butyl methyl trisulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl methyl trisulfide?
Yes, KEHONG BIO provides custom synthesis services for Butyl methyl trisulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.