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4-(4-iodophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

4-(4-iodophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione structure

CAS No:
68869-51-2
Formula:
C21H16IN3OS
Chemical Name:
4-(4-iodophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

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4-(4-iodophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

485.34100

Exact Mass：

485.00588

DSSTox ID：

DTXSID30218959

Characteristics

PSA：

78.74000

XLogP3：

5.40660

Density：

1.56g/cm3

Boiling Point：

579.4ºC at 760 mmHg

Flash Point：

304.2ºC

Refractive Index：

1.707

Computed Properties

Molecular Weight:485.3
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:485.00588
Monoisotopic Mass:485.00588
Topological Polar Surface Area:69
Heavy Atom Count:27
Complexity:536
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-iodophenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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