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methyl4-oxo-4{H}-pyrimido[2,1-{b}][1,3]benzothiazole-2-carboxylate

methyl4-oxo-4{H}-pyrimido[2,1-{b}][1,3]benzothiazole-2-carboxylate structure

CAS No:
58099-49-3
Formula:
C12H8N2O3S
Chemical Name:
methyl4-oxo-4{H}-pyrimido[2,1-{b}][1,3]benzothiazole-2-carboxylate
Synonyms:
methyl 4-oxo-4{H}-pyrimido[2,1-{b}][1,3]benzothiazole-2-carboxylate;4H-Pyrimido[2,1-b]benzothiazole-2-carboxylic acid, 4-oxo-, methyl ester

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methyl4-oxo-4{H}-pyrimido[2,1-{b}][1,3]benzothiazole-2-carboxylate Basic Attributes

Molecular Weight：

260.27

Exact Mass：

260.026

Characteristics

PSA：

88.91

XLogP3：

1.6958

Density：

1.52±0.1 g/cm3

Melting Point：

202-204 °C

Boiling Point：

437.2±55.0 °C(Predicted)

PKA：

-2.67±0.40

Computed Properties

Molecular Weight:260.27
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:260.02556330
Monoisotopic Mass:260.02556330
Topological Polar Surface Area:84.3
Heavy Atom Count:18
Complexity:472
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl4-oxo-4{H}-pyrimido[2,1-{b}][1,3]benzothiazole-2-carboxylate

Basic Attributes
Characteristics
Computed Properties

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