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3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione

3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione structure

CAS No:
61066-46-4
Formula:
C15H11N3O2S
Chemical Name:
3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Synonyms:
3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione;5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol;61066-46-4;5-Benzo[1,3]dioxol-5-yl-4-phenyl-4H-[1,2,4]triazole-3-thiol;MLS000389363;SCHEMBL5331477;CHEMBL1587352;CHEBI:107696;HMS2519H23;ZINC6508571;AKOS002662750;AKOS017268620;MCULE-7326880387;SMR000255636;EN300-05463;Q27186022;Z56276656

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Description

3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione is a member of triazoles.

3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

297.3 g/mol

Exact Mass：

297.05719778 g/mol

Characteristics

PSA：

78.2 Å²

XLogP3：

2.9517

Melting Point：

261 - 262 °C (ethanol)

Computed Properties

Molecular Weight:297.3
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:297.05719778
Monoisotopic Mass:297.05719778
Topological Polar Surface Area:78.2
Heavy Atom Count:21
Complexity:450
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: dinitrogen trioxide formula; aceclofenac; dimethiconol; potassium sulfide formula; ammonium formula; polychloropren

Guide of 3-(1,3-benzodioxol-5-yl)-4-phenyl-1H-1,2,4-triazole-5-thione

Description
Basic Attributes
Characteristics
Computed Properties

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