4-Ethyl-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol - CAS 832126-18-8
Catalog: |
BB046499 |
Product Name: |
4-Ethyl-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol |
CAS: |
832126-18-8 |
Synonyms: |
4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazole-3-thiol; 4-Ethyl-5-(2-phenyl-cyclopropyl)-4H-[1,2,4]-triazole-3-thiol |
IUPAC Name: | 4-ethyl-3-(2-phenylcyclopropyl)-1H-1,2,4-triazole-5-thione |
Description: | 4-Ethyl-5-(2-phenylcyclopropyl)-4H-1,2,4-triazole-3-thiol (CAS# 832126-18-8 ) is a useful research chemical. |
Molecular Weight: | 245.35 |
Molecular Formula: | C13H15N3S |
Canonical SMILES: | CCN1C(=NNC1=S)C2CC2C3=CC=CC=C3 |
InChI: | InChI=1S/C13H15N3S/c1-2-16-12(14-15-13(16)17)11-8-10(11)9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,15,17) |
InChI Key: | WZVZZHCETNJYMA-UHFFFAOYSA-N |
Boiling Point: | 429.4±48.0 ℃ at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.09866866 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.09866866 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.7 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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