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NSC17136

NSC17136 structure

CAS No:
5445-93-2
Formula:
C9 H12 N2 O4 S
Chemical Name:
NSC17136
Synonyms:
NSC17136;diethyl 2-imino-2,3-dihydrothiazole-4,5-dicarboxylate;4,5-Thiazoledicarboxylic acid, 2-amino-, 4,5-diethyl ester

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NSC17136 Basic Attributes

Molecular Weight：

244.27

Exact Mass：

244.05177804 g/mol

NSC Number：

17136

DSSTox ID：

DTXSID80280489

Characteristics

PSA：

119.75000

XLogP3：

1.65990

Density：

1.333±0.06 g/cm3

Melting Point：

111-112 °C(Solv: benzene (71-43-2))

Boiling Point：

356.9±22.0 °C(Predicted)

Flash Point：

169.7ºC

Refractive Index：

1.566

PKA：

0.78±0.10

Computed Properties

Molecular Weight:244.27
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:244.05177804
Monoisotopic Mass:244.05177804
Topological Polar Surface Area:120
Heavy Atom Count:16
Complexity:274
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of NSC17136

Basic Attributes
Characteristics
Computed Properties

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