3-(Propylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine - CAS 459210-98-1
Catalog: |
BB048590 |
Product Name: |
3-(Propylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine |
CAS: |
459210-98-1 |
Synonyms: |
3-Propylsulfanyl-5-trifluoromethyl-[1,2,4]triazol-4-ylamine; 3-propylthio-5-(trifluoromethyl)-1,2,4-triazole-4-ylamine; 3-(Propylthio)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine |
IUPAC Name: | 3-propylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-amine |
Description: | 3-(Propylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine (CAS# 459210-98-1 ) is a useful research chemical. |
Molecular Weight: | 226.23 |
Molecular Formula: | C6H9F3N4S |
Canonical SMILES: | CCCSC1=NN=C(N1N)C(F)(F)F |
InChI: | InChI=1S/C6H9F3N4S/c1-2-3-14-5-12-11-4(13(5)10)6(7,8)9/h2-3,10H2,1H3 |
InChI Key: | DHMVOTSGCUIXCU-UHFFFAOYSA-N |
Boiling Point: | 303.9±52.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.05000196 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.05000196 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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