5-(1-Methyl-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine - CAS 1377084-42-8
Catalog: |
BB051112 |
Product Name: |
5-(1-Methyl-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine |
CAS: |
1377084-42-8 |
Synonyms: |
1,3,4-Thiadiazol-2-amine, 5-(1-methyl-1H-pyrazol-3-yl)- |
IUPAC Name: | 5-(1-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine |
Molecular Weight: | 181.22 |
Molecular Formula: | C6H7N5S |
Canonical SMILES: | CN1C=CC(=N1)C2=NN=C(S2)N |
InChI: | InChI=1S/C6H7N5S/c1-11-3-2-4(10-11)5-8-9-6(7)12-5/h2-3H,1H3,(H2,7,9) |
InChI Key: | FOBWSOVWUJQCLG-UHFFFAOYSA-N |
Boiling Point: | 410.3±37.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.68±0.1 g/cm3 (Predicted) |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.04221642 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.04221642 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 97.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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