5-(2-(Difluoromethoxy)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol - CAS 832127-32-9
Catalog: |
BB045978 |
Product Name: |
5-(2-(Difluoromethoxy)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol |
CAS: |
832127-32-9 |
Synonyms: |
5-(2-Difluoromethoxy-phenyl)-4-ethyl-4H-[1,2,4]-triazole-3-thiol; 5-[2-(difluoromethoxy)phenyl]-4-ethyl-4H-1,2,4-triazole-3-thiol |
IUPAC Name: | 3-[2-(difluoromethoxy)phenyl]-4-ethyl-1H-1,2,4-triazole-5-thione |
Description: | 5-(2-(Difluoromethoxy)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS# 832127-32-9 ) is a useful research chemical. |
Molecular Weight: | 271.29 |
Molecular Formula: | C11H11F2N3OS |
Canonical SMILES: | CCN1C(=NNC1=S)C2=CC=CC=C2OC(F)F |
InChI: | InChI=1S/C11H11F2N3OS/c1-2-16-9(14-15-11(16)18)7-5-3-4-6-8(7)17-10(12)13/h3-6,10H,2H2,1H3,(H,15,18) |
InChI Key: | SAIMGASHDYFKKT-UHFFFAOYSA-N |
Boiling Point: | 331.6±52.0 ℃ at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.05908948 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.05908948 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 69 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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