![5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione structure](/static/products/1005/1005650-84-9.webp)
5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione
TL;DR: 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione (CAS 1005650-84-9) is a chemical compound with molecular formula C10H12F2N6S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(difluoromethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione, 3-(difluoromethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(difluoromethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-2H-1,2,4-triazole-3-thione
| Molecular Formula | C10H12F2N6S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 2.11083 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0812 |
| Heavy Atoms | 19 |
| Complexity | 680.74164 |
Chemical Identifiers
| CAS Number | 1005650-84-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C=NN2C(=NNC2=S)C(F)F |
Product Overview
5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione (CAS 1005650-84-9), with molecular formula C10H12F2N6S and molecular weight 286.08 g/mol. IUPAC: 3-(difluoromethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione
Property Insights of 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione
The XLogP value of 2.11083 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione. The TPSA of 63.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 4 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-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione is 1005650-84-9.
What is the molecular formula of 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione is C10H12F2N6S.
What is the molecular weight of 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione is 286.08 g/mol.
Where can I buy 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-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-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Difluoromethyl)-2,4-dihydro-4-[[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]amino]-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.