![5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione structure](/static/products/6128/6128-45-6.webp)
5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 6128-45-6) is a chemical compound with molecular formula C12H15N5S3 and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C12H15N5S3 |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 3.23931 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.04895 |
| Heavy Atoms | 20 |
| Complexity | 661.35266 |
Chemical Identifiers
| CAS Number | 6128-45-6 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC)SCC2=NNC(=S)N2CC=C |
Product Overview
5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 6128-45-6), with molecular formula C12H15N5S3 and molecular weight 325.05 g/mol. IUPAC: 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.23931 indicates that 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 1 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 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 6128-45-6.
What is the molecular formula of 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C12H15N5S3.
What is the molecular weight of 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 325.05 g/mol.
Where can I buy 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-({[6-Methyl-2-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}methyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.