3-(2,4-Dichlorophenyl)-1H-1,2,4-triazole-5(4H)-thione - CAS 26028-68-2
Catalog: |
BB019108 |
Product Name: |
3-(2,4-Dichlorophenyl)-1H-1,2,4-triazole-5(4H)-thione |
CAS: |
26028-68-2 |
Synonyms: |
5-(2,4-dichlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione; 5-(2,4-dichlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione |
IUPAC Name: | 5-(2,4-dichlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione |
Description: | 3-(2,4-Dichlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS# 26028-68-2) is a useful research chemical. |
Molecular Weight: | 246.12 |
Molecular Formula: | C8H5Cl2N3S |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)C2=NC(=S)NN2 |
InChI: | InChI=1S/C8H5Cl2N3S/c9-4-1-2-5(6(10)3-4)7-11-8(14)13-12-7/h1-3H,(H2,11,12,13,14) |
InChI Key: | BZLULSOSPSQTAL-UHFFFAOYSA-N |
Boiling Point: | 330.7 ℃ at 760 mmHg |
Density: | 1.68 g/cm3 |
LogP: | 3.06720 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9581237 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9581237 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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