2-((5-(2-(Difluoromethoxy)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide - CAS 862781-95-1
Catalog: |
BB045925 |
Product Name: |
2-((5-(2-(Difluoromethoxy)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide |
CAS: |
862781-95-1 |
Synonyms: |
2-({5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide |
IUPAC Name: | 2-[[5-[2-(difluoromethoxy)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
Description: | 2-((5-(2-(Difluoromethoxy)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS# 862781-95-1 ) is a useful research chemical. |
Molecular Weight: | 343.35 |
Molecular Formula: | C13H15F2N5O2S |
Canonical SMILES: | CCN1C(=NN=C1SCC(=O)NN)C2=CC=CC=C2OC(F)F |
InChI: | InChI=1S/C13H15F2N5O2S/c1-2-20-11(18-19-13(20)23-7-10(21)17-16)8-5-3-4-6-9(8)22-12(14)15/h3-6,12H,2,7,16H2,1H3,(H,17,21) |
InChI Key: | NNPWRHOLSZFCJU-UHFFFAOYSA-N |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 393 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.09145224 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.09145224 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 120 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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