ChemicalBook--->CAS DataBase List--->98550-19-7

98550-19-7

98550-19-7 Structure

98550-19-7 Structure
IdentificationBack Directory
[Name]

6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE
[CAS]

98550-19-7
[Synonyms]

pyrimido[5,4-d]pyrimidin-4(1H)
6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4-OL
4-hydroxy-6-Methylthio-pyriMido[5,4-d]pyriMidine
6-(Methylthio)pyriMido[5,4-d]pyriMidin-4(3H)-one
6-(methylthio)-1H-pyrimido[5,4-d]pyrimidin-4-one
6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE
6-methylsulfanyl-1H-pyrimido[5,4-d]pyrimidin-4-one
2-methylsulfanyl-7H-pyrimido[5,4-d]pyrimidin-8-one
Pyrimido[5,4-d]pyrimidin-4(3H)-one, 6-(methylthio)-
6-(Methylsulfanyl)-1H,4H-pyriMido[5,4-d][1,3]diazin-4-one
[Molecular Formula]

C7H6N4OS
[MDL Number]

MFCD11111842
[MOL File]

98550-19-7.mol
[Molecular Weight]

194.21
Chemical PropertiesBack Directory
[Boiling point ]

425.4±37.0 °C(Predicted)
[density ]

1?+-.0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

-1.25±0.20(Predicted)
[InChI]

InChI=1S/C7H6N4OS/c1-13-7-8-2-4-5(11-7)6(12)10-3-9-4/h2-3H,1H3,(H,9,10,12)
[InChIKey]

AVUWNHRPNQVSOI-UHFFFAOYSA-N
[SMILES]

C1NC(=O)C2=NC(SC)=NC=C2N=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

6-(METHYLTHIO)PYRIMIDO[5,4-D]PYRIMIDIN-4(1H)-ONE(98550-19-7)1HNMR
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