3-(Difluoromethyl)-5-(methylthio)-4h-1,2,4-triazol-4-amine - CAS 869942-09-6
Catalog: |
BB046531 |
Product Name: |
3-(Difluoromethyl)-5-(methylthio)-4h-1,2,4-triazol-4-amine |
CAS: |
869942-09-6 |
Synonyms: |
3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine; 3-Difluoromethyl-5-methylsulfanyl-[1,2,4]triazol-4-ylamine; 5-(difluoromethyl)-3-methylthio-1,2,4-triazole-4-ylamine |
IUPAC Name: | 3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-amine |
Description: | 3-(Difluoromethyl)-5-(methylthio)-4h-1,2,4-triazol-4-amine (CAS# 869942-09-6 ) is a useful research chemical. |
Molecular Weight: | 180.18 |
Molecular Formula: | C4H6F2N4S |
Canonical SMILES: | CSC1=NN=C(N1N)C(F)F |
InChI: | InChI=1S/C4H6F2N4S/c1-11-4-9-8-3(2(5)6)10(4)7/h2H,7H2,1H3 |
InChI Key: | LJWSXFAXCIECMR-UHFFFAOYSA-N |
Boiling Point: | 335.1±52.0 ℃ at 760 mmHg |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.02812371 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.02812371 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 82 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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