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67831-84-9

67831-84-9 Structure

67831-84-9 Structure
IdentificationBack Directory
[Name]

3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one
[CAS]

67831-84-9
[Synonyms]

Nsc25976
Mercaptopurine Impurity 12
2-Thioxo-7-deazahypoxanthine
Hypoxanthine 7-Deaza 2-Mercapto
2-Mercapto-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
2-Mercapto-3H-pyrrolo[2,3-d]pyrimidine-4(7H)-one
3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one
2-mercapto-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
2-Thioxo-2,3-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
2-Mercapto-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one AldrichCPR
1,2,3,7-Tetrahydro-2-thioxo-4H-pyrrolo[2,3-d]pyriMidin-4-one
3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,2,3,7-tetrahydro-2-thioxo-
3,7-Dihydro-2-sulphanyl-4H-pyrrolo[2,3-d]pyrimidin-4-one, 3,7-Dihydro-2-mercapto-4H-pyrrolo[2,3-d]pyrimidin-4-one
[Molecular Formula]

C6H5N3OS
[MDL Number]

MFCD12196502
[MOL File]

67831-84-9.mol
[Molecular Weight]

167.19
Chemical PropertiesBack Directory
[Melting point ]

335-345°C dec.
[density ]

1.65±0.1 g/cm3(Predicted)
[storage temp. ]

Store at Room Tem.
[solubility ]

Aqueous Base (Slightly)i, DMSO (Slightly)
[form ]

Solid
[pka]

9?+-.0.20(Predicted)
[color ]

White to Off-White
[InChI]

1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
[InChIKey]

QCZHCRBHXAFBDJ-UHFFFAOYSA-N
[SMILES]

SC1=Nc2[nH]ccc2C(=O)N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Colourless Crystalline Solid
[Uses]

Activator of Xanthine oxidase
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