4-Cyclopropyl-5-(5-methyl-pyrazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiol - CAS 1001500-09-9
Catalog: |
BB046583 |
Product Name: |
4-Cyclopropyl-5-(5-methyl-pyrazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiol |
CAS: |
1001500-09-9 |
Synonyms: |
4-Cyclopropyl-5-((5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol |
IUPAC Name: | 4-cyclopropyl-3-[(5-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione |
Description: | 4-Cyclopropyl-5-(5-methyl-pyrazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiol (CAS# 1001500-09-9 ) is a useful research chemical. |
Molecular Weight: | 235.31 |
Molecular Formula: | C10H13N5S |
Canonical SMILES: | CC1=CC=NN1CC2=NNC(=S)N2C3CC3 |
InChI: | InChI=1S/C10H13N5S/c1-7-4-5-11-14(7)6-9-12-13-10(16)15(9)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,13,16) |
InChI Key: | RFPCPVALSXMPRU-UHFFFAOYSA-N |
Boiling Point: | 352.6±44.0 °C at 760 mmHg |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.08916661 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.08916661 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 77.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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