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5-[(4-propoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

5-[(4-propoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole structure

CAS No:
57736-47-7
Formula:
C12H15N3OS
Chemical Name:
5-[(4-propoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
Synonyms:
SMR000070113;MLS000061244;3-[(4-propoxybenzyl)thio]-4H-1,2,4-triazole;3-(4-Propoxy-benzylsulfanyl)-4H-[1,2,4]triazole;5-[(4-propoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole;CHEMBL1301914;BDBM44691;cid_1958182;HMS2325O05;ZINC4257727;STK805377;AKOS000506255;MCULE-4381864471;ST50221951;5-[(4-propoxybenzyl)thio]-1H-1,2,4-triazole;SR-01000484853;3-[(4-propoxybenzyl)sulfanyl]-4H-1,2,4-triazole;SR-01000484853-1;5-[(4-propoxyphenyl)methylthio]-1H-1,2,4-triazole;4-propoxy-1-(4H-1,2,4-triazol-3-ylthiomethyl)benzene;57736-47-7

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5-[(4-propoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Basic Attributes

Molecular Weight：

249.33 g/mol

Exact Mass：

249.09358328 g/mol

Characteristics

PSA：

76.1 Å²

XLogP3：

2.8858

Melting Point：

89 - 90 °C

Computed Properties

Molecular Weight:249.33
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:249.09358328
Monoisotopic Mass:249.09358328
Topological Polar Surface Area:76.1
Heavy Atom Count:17
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[(4-propoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

Basic Attributes
Characteristics
Computed Properties

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