3-(Difluoromethyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio}-4H-1,2,4-triazol-4-amine - CAS 925179-62-0
Catalog: |
BB049907 |
Product Name: |
3-(Difluoromethyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio}-4H-1,2,4-triazol-4-amine |
CAS: |
925179-62-0 |
Synonyms: |
3-(Difluoromethyl)-5-(((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)thio)-4H-1,2,4-triazol-4-amine; 3-(difluoromethyl)-5-([(3,5-dimethyl-4-nitro-1h-pyrazol-1-yl)methyl]thio)-4h-1,2,4-triazol-4-amine; 3-(difluoromethyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazol-4-amine |
IUPAC Name: | 3-(difluoromethyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine |
Description: | 3-(Difluoromethyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]thio}-4H-1,2,4-triazol-4-amine (CAS# 925179-62-0 ) is a useful research chemical. |
Molecular Weight: | 319.29 |
Molecular Formula: | C9H11F2N7O2S |
Canonical SMILES: | CC1=C(C(=NN1CSC2=NN=C(N2N)C(F)F)C)[N+](=O)[O-] |
InChI: | InChI=1S/C9H11F2N7O2S/c1-4-6(18(19)20)5(2)16(15-4)3-21-9-14-13-8(7(10)11)17(9)12/h7H,3,12H2,1-2H3 |
InChI Key: | UDSNNHAUPITKHR-UHFFFAOYSA-N |
Boiling Point: | 457.6±55.0 °C at 760 mmHg |
Density: | 1.74±0.1 g/cm3 |
Complexity: | 388 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 319.06630012 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 319.06630012 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 146 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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