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2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione

2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione structure

CAS No:
21358-13-4
Formula:
C15H13N3OS
Chemical Name:
2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
Synonyms:
3H-1,2,4-Triazole-3-thione,2,4-dihydro-5-(phenoxymethyl)-4-phenyl-;Δ2-1,2,4-Triazoline-5-thione,3-(phenoxymethyl)-4-phenyl-;2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione;49656-87-3

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2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione Basic Attributes

Molecular Weight：

283.34800

Exact Mass：

283.35

DSSTox ID：

DTXSID30352185

HScode：

2933990090

Characteristics

PSA：

78.74000

XLogP3：

3.13500

Density：

1.26g/cm3

Melting Point：

157-159 °C @ Solvent: Ethanol

Boiling Point：

413.3ºC

Flash Point：

203.7ºC

Refractive Index：

1.661

Vapor Pressure：

4.86E-07mmHg at 25°C

Safety Information

Marks：

Computed Properties

Molecular Weight:283.4
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:283.07793322
Monoisotopic Mass:283.07793322
Topological Polar Surface Area:69
Heavy Atom Count:20
Complexity:373
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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