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5-[[(4-Methoxyphenyl)methyl]thio]-1H-1,2,4-triazole

5-[[(4-Methoxyphenyl)methyl]thio]-1H-1,2,4-triazole structure

CAS No:
17357-75-4
Formula:
C10H11N3OS
Chemical Name:
5-[[(4-Methoxyphenyl)methyl]thio]-1H-1,2,4-triazole
Synonyms:
1H-1,2,4-Triazole,5-[[(4-methoxyphenyl)methyl]thio]-;s-Triazole,3-[(p-methoxybenzyl)thio]-;1H-1,2,4-Triazole,3-[[(4-methoxyphenyl)methyl]thio]-;5-[[(4-Methoxyphenyl)methyl]thio]-1H-1,2,4-triazole;3-((4-Methoxybenzyl)thio)-1H-1,2,4-triazole;3-[[(4-Methoxyphenyl)methyl]sulfanyl]-4H-1,2,4-triazole

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5-[[(4-Methoxyphenyl)methyl]thio]-1H-1,2,4-triazole Basic Attributes

Molecular Weight：

221.27900

Exact Mass：

221.28

DSSTox ID：

DTXSID50352162

HScode：

2933990090

Characteristics

PSA：

76.10000

XLogP3：

2.10560

Density：

1.31g/cm3

Melting Point：

83-85 °C @ Solvent: Methanol

Boiling Point：

428.9ºC at 760mmHg

Flash Point：

213.2ºC

Refractive Index：

1.63

Vapor Pressure：

1.46E-07mmHg at 25°C

Computed Properties

Molecular Weight:221.28
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:221.06228316
Monoisotopic Mass:221.06228316
Topological Polar Surface Area:76.1
Heavy Atom Count:15
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[[(4-Methoxyphenyl)methyl]thio]-1H-1,2,4-triazole

Basic Attributes
Characteristics
Computed Properties

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