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4(1H)-Pyrimidinone,6-methyl-2-[(phenylmethyl)thio]-

4(1H)-Pyrimidinone,6-methyl-2-[(phenylmethyl)thio]- structure

CAS No:
3019-17-8
Formula:
C12H12N2OS
Chemical Name:
4(1H)-Pyrimidinone,6-methyl-2-[(phenylmethyl)thio]-
Synonyms:
4(1H)-Pyrimidinone, 6-methyl-2-[(phenylmethyl)thio]-;2-(benzylthio)-6-methylpyrimidin-4(3H)-one;2-(benzylsulfanyl)-6-methyl-4-pyrimidinol;4(3H)-Pyrimidinone, 6-methyl-2-[(phenylmethyl)thio]-

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4(1H)-Pyrimidinone,6-methyl-2-[(phenylmethyl)thio]- Basic Attributes

Molecular Weight：

232.3

Exact Mass：

232.06703418

DSSTox ID：

DTXSID10352587

Characteristics

Density：

1.22±0.1 g/cm3

Melting Point：

176-178 °C

Boiling Point：

374.6±35.0 °C(Predicted)

Water Solubility：

>34.8 [ug/mL]

PKA：

8.07±0.50

Computed Properties

Molecular Weight:232.30
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:232.06703418
Monoisotopic Mass:232.06703418
Topological Polar Surface Area:66.8
Heavy Atom Count:16
Complexity:330
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4(1H)-Pyrimidinone,6-methyl-2-[(phenylmethyl)thio]-

Basic Attributes
Characteristics
Computed Properties

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