5-Ethyl-4-methyl-4H-1,2,4-triazole-3-thiol - CAS 4418-57-9
Catalog: |
BB047201 |
Product Name: |
5-Ethyl-4-methyl-4H-1,2,4-triazole-3-thiol |
CAS: |
4418-57-9 |
Synonyms: |
5-Ethyl-4-methyl-4H-[1,2,4]triazole-3-thiol; 5-ethyl-4-methyl-1,2,4-triazole-3-thiol; 4-Methyl-5-ethyl-4H-[1,2,4]triazole-3-thiol |
IUPAC Name: | 3-ethyl-4-methyl-1H-1,2,4-triazole-5-thione |
Description: | 5-Ethyl-4-methyl-4H-1,2,4-triazole-3-thiol (CAS# 4418-57-9 ) is a useful research chemical. |
Molecular Weight: | 143.21 |
Molecular Formula: | C5H9N3S |
Canonical SMILES: | CCC1=NNC(=S)N1C |
InChI: | InChI=1S/C5H9N3S/c1-3-4-6-7-5(9)8(4)2/h3H2,1-2H3,(H,7,9) |
InChI Key: | FNWNVPUZNJSFKL-UHFFFAOYSA-N |
Boiling Point: | 173 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.28 g/cm3 |
Appearance: | Solid |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.05171847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.05171847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 59.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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