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100130-05-0

100130-05-0 Structure

100130-05-0 Structure
IdentificationBack Directory
[Name]

5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID
[CAS]

100130-05-0
[Synonyms]

5-Amino-2-(methylthio)
5-aMino-2-(Methylthio)pyriMidine-4-carboxylic
2-methylthio-5-amino-4-pyrimidinecarboxylic acid
5-Amino-2-(methylthio)pyrimidine-4-carboxylicAci
5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID
5-Amino-2-(methylthio)-4-pyrimidinecarboxylic acid
4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)-
5-aMino-2-(Methylsulfanyl)pyriMidine-4-carboxylic acid
0 5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID ISO 9001:2015 REACH
[Molecular Formula]

C6H7N3O2S
[MDL Number]

MFCD12407810
[MOL File]

100130-05-0.mol
[Molecular Weight]

185.2
Chemical PropertiesBack Directory
[Melting point ]

190-191.5℃ (decomposition)
[Boiling point ]

435.0±30.0 °C(Predicted)
[density ]

1.53±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

3.40±0.10(Predicted)
[InChI]

InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
[InChIKey]

NTEPDMJNOBYJHJ-UHFFFAOYSA-N
[SMILES]

C1(SC)=NC=C(N)C(C(O)=O)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

5-Amino-2-(methylthio)pyrimidine-4-carboxylic acid is a versatile reactant used in the preparation of helicene analogs.
Spectrum DetailBack Directory
[Spectrum Detail]

5-AMINO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLIC ACID(100130-05-0)1HNMR
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