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412341-42-5

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412341-42-5 Structure

412341-42-5 Structure
IdentificationBack Directory
[Name]

2,3-DIHYDRO-2-THIOXO-PYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE
[CAS]

412341-42-5
[Synonyms]

2,3-DIHYDRO-2-THIOXO-PYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE
Pyrido[3,4-d]pyriMidin-4(1H)-one,2,3-dihydro-2-thioxo-
2-sulfanylidene-1h,2h,3h,4h-pyrido[3,4-d]pyrimidin-4-one
[Molecular Formula]

C7H5N3OS
[MDL Number]

MFCD07437913
[MOL File]

412341-42-5.mol
[Molecular Weight]

179.2
Chemical PropertiesBack Directory
[Melting point ]

>360 °C
[density ]

1.56±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

6.72±0.20(Predicted)
[Appearance]

Light yellow to light brown Solid
[InChI]

InChI=1S/C7H5N3OS/c11-6-4-1-2-8-3-5(4)9-7(12)10-6/h1-3H,(H2,9,10,11,12)
[InChIKey]

BPHCSRXTRKZVDY-UHFFFAOYSA-N
[SMILES]

C1(=S)NC(=O)C2C=CN=CC=2N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H320-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DIHYDRO-2-THIOXO-PYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE(412341-42-5)1HNMR
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