4-Ethyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazole-3-thiol - CAS 828280-55-3
Catalog: |
BB045977 |
Product Name: |
4-Ethyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazole-3-thiol |
CAS: |
828280-55-3 |
Synonyms: |
4-Ethyl-5-(2-(p-tolyl)cyclopropyl)-4H-1,2,4-triazole-3-thiol |
IUPAC Name: | 4-ethyl-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione |
Description: | 4-Ethyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazole-3-thiol (CAS# 828280-55-3 ) is a useful research chemical. |
Molecular Weight: | 259.37 |
Molecular Formula: | C14H17N3S |
Canonical SMILES: | CCN1C(=NNC1=S)C2CC2C3=CC=C(C=C3)C |
InChI: | InChI=1S/C14H17N3S/c1-3-17-13(15-16-14(17)18)12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3,(H,16,18) |
InChI Key: | GUVZGKRXASSIMU-UHFFFAOYSA-N |
Boiling Point: | 367.1±52.0 °C (Predicted) |
Density: | 1.29±0.1 g/cm3 (Predicted) |
Complexity: | 371 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.11431873 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.11431873 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.7 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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