4-Cyclopropyl-5-(3-difluoromethyl-5-methyl-pyrazol-1-ylmethyl)-4h-[1,2,4]triazole-3-thiol - CAS 1001500-60-2
Catalog: |
BB049270 |
Product Name: |
4-Cyclopropyl-5-(3-difluoromethyl-5-methyl-pyrazol-1-ylmethyl)-4h-[1,2,4]triazole-3-thiol |
CAS: |
1001500-60-2 |
Synonyms: |
4-Cyclopropyl-5-((3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol; 4-cyclopropyl-5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol |
IUPAC Name: | 4-cyclopropyl-3-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione |
Description: | 4-Cyclopropyl-5-(3-difluoromethyl-5-methyl-pyrazol-1-ylmethyl)-4h-[1,2,4]triazole-3-thiol (CAS# 1001500-60-2 ) is a useful research chemical. |
Molecular Weight: | 285.32 |
Molecular Formula: | C11H13F2N5S |
Canonical SMILES: | CC1=CC(=NN1CC2=NNC(=S)N2C3CC3)C(F)F |
InChI: | InChI=1S/C11H13F2N5S/c1-6-4-8(10(12)13)16-17(6)5-9-14-15-11(19)18(9)7-2-3-7/h4,7,10H,2-3,5H2,1H3,(H,15,19) |
InChI Key: | XKHBRGUAGSEAQX-UHFFFAOYSA-N |
Boiling Point: | 375.8±52.0 °C (Predicted) |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 412 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.08597293 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.08597293 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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