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5-(4-Nitrophenyl)-1,3,4-thiadiazole2(3H)-thione

5-(4-Nitrophenyl)-1,3,4-thiadiazole2(3H)-thione structure

CAS No:
81188-34-3
Formula:
C8H5N3O2S2
Chemical Name:
5-(4-Nitrophenyl)-1,3,4-thiadiazole2(3H)-thione
Synonyms:
5-(4-Nitrophenyl)-1,3,4-thiadiazole2(3H)-thione;1,3,4-Thiadiazole-2(3H)-thione, 5-(4-nitrophenyl)-

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5-(4-Nitrophenyl)-1,3,4-thiadiazole2(3H)-thione Basic Attributes

Molecular Weight：

239.27

Exact Mass：

238.982

Characteristics

PSA：

138.64000

XLogP3：

2.92520

Density：

1.68±0.1 g/cm3

Melting Point：

221-224 °C(Solv: ethanol (64-17-5))

Boiling Point：

389.0±44.0 °C(Predicted)

PKA：

5.51±0.40

Computed Properties

Molecular Weight:239.3
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:238.98231876
Monoisotopic Mass:238.98231876
Topological Polar Surface Area:128
Heavy Atom Count:15
Complexity:318
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(4-Nitrophenyl)-1,3,4-thiadiazole2(3H)-thione

Basic Attributes
Characteristics
Computed Properties

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