丁基甲基三硫醚
TL;DR: 丁基甲基三硫醚 (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.
丁基甲基三硫醚
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
丁基甲基三硫醚 (CAS 120047-92-9), with molecular formula C5H12S3 and molecular weight 168.01 g/mol. IUPAC: 1-(methyltrisulfanyl)butane.
Chemical Property Profile of 丁基甲基三硫醚
Property Insights of 丁基甲基三硫醚
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基甲基三硫醚. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁基甲基三硫醚. Following Lipinski's Rule of Five, 丁基甲基三硫醚 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 丁基甲基三硫醚?
The CAS number of 丁基甲基三硫醚 is 120047-92-9.
What is the molecular formula of 丁基甲基三硫醚?
The molecular formula of 丁基甲基三硫醚 is C5H12S3.
What is the molecular weight of 丁基甲基三硫醚?
The molecular weight of 丁基甲基三硫醚 is 168.01 g/mol.
Where can I buy 丁基甲基三硫醚?
You can request a quote for 丁基甲基三硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基甲基三硫醚?
Yes, KEHONG BIO provides custom synthesis services for 丁基甲基三硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.