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

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3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one Basic information
Product Name:3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one
Synonyms:2-Mercapto-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one AldrichCPR;3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one;Nsc25976;2-Mercapto-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one;2-Thioxo-2,3-dihydro-1H-pyrrolo[2,3-d]pyrimidin-4(7H)-one;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;3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one;1,2,3,7-Tetrahydro-2-thioxo-4H-pyrrolo[2,3-d]pyriMidin-4-one
CAS:67831-84-9
MF:C6H5N3OS
MW:167.19
EINECS:
Product Categories:Bases & Related Reagents;Intermediates;Nucleotides
Mol File:67831-84-9.mol
3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one Structure
3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one Chemical Properties
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
pka9+-.0.20(Predicted)
color White to Off-White
InChI1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
InChIKeyQCZHCRBHXAFBDJ-UHFFFAOYSA-N
SMILESSC1=Nc2[nH]ccc2C(=O)N1
Safety Information
Hazard Codes Xn
Risk Statements 22
WGK Germany WGK 3
HS Code 2933998090
Storage Class11 - Combustible Solids
MSDS Information
3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one Usage And Synthesis
Chemical PropertiesColourless Crystalline Solid
UsesActivator of Xanthine oxidase
3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one Preparation Products And Raw materials
Preparation Products7H-Pyrrolo[2,3-d]pyrimidine
Tag:3-sulfanylidene-2,4,9-triazabicyclo[4.3.0]nona-7,10-dien-5-one(67831-84-9) Related Product Information
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