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1-(4-methylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

1-(4-methylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone structure

CAS No:
140405-99-8
Formula:
C20H21N3O4S
Chemical Name:
1-(4-methylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
Synonyms:
1-(4-Methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)ethanone; Ethanone,1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio);

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1-(4-methylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Basic Attributes

Molecular Weight：

399.46300

Exact Mass：

399.12527733

DSSTox ID：

DTXSID70161334

Characteristics

PSA：

111.63000

XLogP3：

3.78090

Density：

1.33g/cm3

Boiling Point：

621ºC

Flash Point：

328.8ºC

Refractive Index：

1.63

Vapor Pressure：

2.66E-15mmHg at 25°C

Computed Properties

Molecular Weight:399.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:399.12527733
Monoisotopic Mass:399.12527733
Topological Polar Surface Area:112
Heavy Atom Count:28
Complexity:490
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(4-methylphenyl)-2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Basic Attributes
Characteristics
Computed Properties

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