4-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol - CAS 914096-56-3
Catalog: |
BB045551 |
Product Name: |
4-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
CAS: |
914096-56-3 |
Synonyms: |
4-methyl-5-(1-methylpyrazol-5-yl)-1,2,4-triazole-3-thiol |
IUPAC Name: | 4-methyl-3-(2-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione |
Description: | 4-Methyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS# 914096-56-3 ) is a useful research chemical. |
Molecular Weight: | 195.25 |
Molecular Formula: | C7H9N5S |
Canonical SMILES: | CN1C(=CC=N1)C2=NNC(=S)N2C |
InChI: | InChI=1S/C7H9N5S/c1-11-6(9-10-7(11)13)5-3-4-8-12(5)2/h3-4H,1-2H3,(H,10,13) |
InChI Key: | FLKZFVRSDRABSC-UHFFFAOYSA-N |
Boiling Point: | 303.7±34.0 °C at 760 mmHg |
Density: | 1.49±0.1 g/cm3 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05786648 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05786648 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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