5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol - CAS 1018053-32-1
Catalog: |
BB048038 |
Product Name: |
5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol |
CAS: |
1018053-32-1 |
Synonyms: |
5-methyl-4-(propylamino)-1,2,4-triazole-3-thiol; 4H-1,2,4-triazole-3-thiol, 5-methyl-4-(propylamino)- |
IUPAC Name: | 3-methyl-4-(propylamino)-1H-1,2,4-triazole-5-thione |
Description: | 5-Methyl-4-(propylamino)-4H-1,2,4-triazole-3-thiol (CAS# 1018053-32-1 ) is a useful research chemical. |
Molecular Weight: | 172.25 |
Molecular Formula: | C6H12N4S |
Canonical SMILES: | CCCNN1C(=NNC1=S)C |
InChI: | InChI=1S/C6H12N4S/c1-3-4-7-10-5(2)8-9-6(10)11/h7H,3-4H2,1-2H3,(H,9,11) |
InChI Key: | DBBFZDQQJDWSKD-UHFFFAOYSA-N |
Boiling Point: | 308.2±25.0 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.07826757 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.07826757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 71.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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