4-Cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol - CAS 1001500-08-8
Catalog: |
BB046582 |
Product Name: |
4-Cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol |
CAS: |
1001500-08-8 |
Synonyms: |
4-Cyclopropyl-5-(2-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol |
IUPAC Name: | 4-cyclopropyl-3-(2-methylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione |
Description: | 4-Cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS# 1001500-08-8 ) is a useful research chemical. |
Molecular Weight: | 221.28 |
Molecular Formula: | C9H11N5S |
Canonical SMILES: | CN1C(=CC=N1)C2=NNC(=S)N2C3CC3 |
InChI: | InChI=1S/C9H11N5S/c1-13-7(4-5-10-13)8-11-12-9(15)14(8)6-2-3-6/h4-6H,2-3H2,1H3,(H,12,15) |
InChI Key: | YGIOAZXLWSDATL-UHFFFAOYSA-N |
Boiling Point: | 347.9±34.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Appearance: | Solid |
Complexity: | 325 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.07351655 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.07351655 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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