![3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione structure](/static/products/5779/577990-42-2.webp)
3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione
TL;DR: 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione (CAS 577990-42-2) is a chemical compound with molecular formula C12H15N5S2 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione, 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 4-allyl-3-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1H-1,2,4-triazole-5(4H)-thione, 5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C12H15N5S2 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.82583 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.07687 |
| Heavy Atoms | 19 |
| Complexity | 623.5596 |
Chemical Identifiers
| CAS Number | 577990-42-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NNC(=S)N2CC=C)C |
Product Overview
3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione (CAS 577990-42-2), with molecular formula C12H15N5S2 and molecular weight 293.08 g/mol. IUPAC: 3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione
Property Insights of 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione
The XLogP value of 2.82583 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione. With a topological polar surface area (TPSA) of 59.39 Ų, 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione has 1 hydrogen bond donor(s) and 5 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 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione?
The CAS number of 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione is 577990-42-2.
What is the molecular formula of 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione?
The molecular formula of 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione is C12H15N5S2.
What is the molecular weight of 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione?
The molecular weight of 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione is 293.08 g/mol.
Where can I buy 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione?
You can request a quote for 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4,6-dimethylpyrimidin-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazoline-5-th ione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.