5-(1-Methyl-1H-pyrazol-4-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol - CAS 1005700-34-4
Catalog: |
BB045571 |
Product Name: |
5-(1-Methyl-1H-pyrazol-4-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol |
CAS: |
1005700-34-4 |
Synonyms: |
5-(1-methylpyrazol-4-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazole-3-thiol |
IUPAC Name: | 3-(1-methylpyrazol-4-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione |
Description: | 5-(1-Methyl-1H-pyrazol-4-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS# 1005700-34-4 ) is a useful research chemical. |
Molecular Weight: | 265.34 |
Molecular Formula: | C11H15N5OS |
Canonical SMILES: | CN1C=C(C=N1)C2=NNC(=S)N2CC3CCCO3 |
InChI: | InChI=1S/C11H15N5OS/c1-15-6-8(5-12-15)10-13-14-11(18)16(10)7-9-3-2-4-17-9/h5-6,9H,2-4,7H2,1H3,(H,14,18) |
InChI Key: | HJLKEJZIKPLWCP-UHFFFAOYSA-N |
Boiling Point: | 497.9±51.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.09973129 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.09973129 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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