![2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine structure](/static/products/868/868221-99-2.png)
2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
TL;DR: 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine (CAS 868221-99-2) is a chemical compound with molecular formula C14H21N5S2 and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
Also Known As: 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine, F1806-0110, 2-({[5-(butan-2-ylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-4,6-dimethylpyrimidine, 2-(((5-(sec-butylthio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)thio)-4,6-dimethylpyrimidine, 2-[({5-[(Butan-2-yl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)sulfanyl]-4,6-dimethylpyrimidine
| Molecular Formula | C14H21N5S2 |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.40484 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.12384 |
| Heavy Atoms | 21 |
| Complexity | 591.157 |
Chemical Identifiers
| CAS Number | 868221-99-2 |
|---|---|
| SMILES | CCC(C)SC1=NN=C(N1C)CSC2=NC(=CC(=N2)C)C |
Product Overview
2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine (CAS 868221-99-2), with molecular formula C14H21N5S2 and molecular weight 323.12 g/mol. IUPAC: 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine.
Chemical Property Profile of 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
Property Insights of 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine
The XLogP value of 3.40484 indicates that 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine has 0 hydrogen bond donor(s) and 6 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 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
The CAS number of 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine is 868221-99-2.
What is the molecular formula of 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
The molecular formula of 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine is C14H21N5S2.
What is the molecular weight of 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
The molecular weight of 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine is 323.12 g/mol.
Where can I buy 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
You can request a quote for 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-butan-2-ylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.