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5,5-Diethyldihydro-6-thioxo-2,4(1H,3H)-pyrimidinedione

5,5-Diethyldihydro-6-thioxo-2,4(1H,3H)-pyrimidinedione structure

CAS No:
6300-97-6
Formula:
C8H12N2O2S
Chemical Name:
5,5-Diethyldihydro-6-thioxo-2,4(1H,3H)-pyrimidinedione
Synonyms:
2,4(1H,3H)-Pyrimidinedione,5,5-diethyldihydro-6-thioxo-;Barbituric acid,5,5-diethyl-4-thio-;5,5-Diethyldihydro-6-thioxo-2,4(1H,3H)-pyrimidinedione;4-Thiobarbital;NSC 44137

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5,5-Diethyldihydro-6-thioxo-2,4(1H,3H)-pyrimidinedione Basic Attributes

Molecular Weight：

200.256

Exact Mass：

200.26

EC Number：

228-592-8

UNII：

D5M4EVA9VV

NSC Number：

44137

DSSTox ID：

DTXSID70212219

Characteristics

PSA：

90.3

XLogP3：

1.5

Melting Point：

196-197 °C @ Solvent: Ethanol, Water

Computed Properties

Molecular Weight:200.26
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:200.06194880
Monoisotopic Mass:200.06194880
Topological Polar Surface Area:90.3
Heavy Atom Count:13
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5,5-Diethyldihydro-6-thioxo-2,4(1H,3H)-pyrimidinedione

Basic Attributes
Characteristics
Computed Properties

5,5-Diethyldihydro-6-thioxo-2,4(1H,3H)-pyrimidinedione

SDS

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