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PYRIMIDINE-5-CARBOTHIOICACIDAMIDE

PYRIMIDINE-5-CARBOTHIOICACIDAMIDE structure

CAS No:
88891-75-2
Formula:
C5H5N3S
Chemical Name:
PYRIMIDINE-5-CARBOTHIOICACIDAMIDE
Synonyms:
PyriMidine-5-carbothioaMide;PYRIMIDINE-5-CARBOTHIOIC ACID AMIDE;5-Pyrimidinecarboxamide, thio- (6CI,7CI);5-Pyrimidinecarbothioamide

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PYRIMIDINE-5-CARBOTHIOICACIDAMIDE Basic Attributes

Molecular Weight：

139.18

Exact Mass：

139.02041835

DSSTox ID：

DTXSID50654274

Characteristics

Density：

1.358±0.06 g/cm3

Melting Point：

170-170.5℃ (ethanol )

Boiling Point：

297.5±32.0 °C(Predicted)

PKA：

11.43±0.29

Computed Properties

Molecular Weight:139.18
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.02041835
Monoisotopic Mass:139.02041835
Topological Polar Surface Area:83.9
Heavy Atom Count:9
Complexity:109
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of PYRIMIDINE-5-CARBOTHIOICACIDAMIDE

Basic Attributes
Characteristics
Computed Properties

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