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72176-80-8,MFCD02916354
Catalog No.:AA006991

72176-80-8 | 3-(4-Nitrophenyl)-2-thioxo-2,3-dihydro-4(1h)-quinazolinone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
500mg
>95%
1 week  
$339.00   $238.00
- +
1g
>95%
1 week  
$414.00   $290.00
- +
5g
>95%
1 week  
$1,112.00   $779.00
- +
10g
>95%
1 week  
$1,810.00   $1,267.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006991
Chemical Name:
3-(4-Nitrophenyl)-2-thioxo-2,3-dihydro-4(1h)-quinazolinone
CAS Number:
72176-80-8
Molecular Formula:
C14H9N3O3S
Molecular Weight:
299.3046
MDL Number:
MFCD02916354
SMILES:
[O-][N+](=O)c1ccc(cc1)n1c(=S)[nH]c2c(c1=O)cccc2
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
457  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Garin,Javier;Melendez,Enrique;Merchan,FranciscoL.;Merino,Pedro;Orduna,Jesus;Tejero,Tomas[JournalofHeterocyclicChemistry,1991,vol.28,#2,p.359-363]

[1]Garin,Javier;Melendez,Enrique;Merchan,FranciscoL.;Merino,Pedro;Orduna,Jesus;Tejero,Tomas[JournalofHeterocyclicChemistry,1991,vol.28,#2,p.359-363]

[1]Locationinpatent:experimentalpartKale,RajuR.;Prasad,Virendra;Tiwari,VinodK.[Synlett,2011,#2,p.195-198]

[1]Locationinpatent:experimentalpartKale,RajuR.;Prasad,Virendra;Tiwari,VinodK.[Synlett,2011,#2,p.195-198]

[1]Locationinpatent:experimentalpartYavari,Issa;Beheshti,Saeideh[HelveticaChimicaActa,2011,vol.94,#10,p.1825-1830]

[2]Patil,MayuriV.;Mhaldar,PradeepM.;Tayade,ShivajiN.;Rashinkar,GajananS.;Pore,DattaprasadM.[JournalofMolecularLiquids,2022,vol.359]

[3]Patil,MayuriV.;Mhaldar,PradeepM.;Tayade,ShivajiN.;Rashinkar,GajananS.;Pore,DattaprasadM.[JournalofMolecularLiquids,2022,vol.359]

Literature
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SDS
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Tags:72176-80-8 Molecular Formula|72176-80-8 MDL|72176-80-8 SMILES|72176-80-8 3-(4-Nitrophenyl)-2-thioxo-2,3-dihydro-4(1h)-quinazolinone
Catalog No.: AA006991
72176-80-8,MFCD02916354
72176-80-8 | 3-(4-Nitrophenyl)-2-thioxo-2,3-dihydro-4(1h)-quinazolinone
Pack Size： 1mg
Purity： >95%
1 week
$299.00 $209.00
Pack Size： 5mg
Purity： >95%
1 week
$319.00 $223.00
Pack Size： 500mg
Purity： >95%
1 week
$339.00 $238.00
Pack Size： 1g
Purity： >95%
1 week
$414.00 $290.00
Pack Size： 5g
Purity： >95%
1 week
$1,112.00 $779.00
Pack Size： 10g
Purity： >95%
1 week
$1,810.00 $1,267.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006991
Chemical Name: 3-(4-Nitrophenyl)-2-thioxo-2,3-dihydro-4(1h)-quinazolinone
CAS Number: 72176-80-8
Molecular Formula: C14H9N3O3S
Molecular Weight: 299.3046
MDL Number: MFCD02916354
SMILES: [O-][N+](=O)c1ccc(cc1)n1c(=S)[nH]c2c(c1=O)cccc2
Properties
Storage: 2-8℃;  
Complexity: 457  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 21  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Downstream Synthesis Route
16024-82-1    100-01-6    72176-80-8 

[1]Garin,Javier;Melendez,Enrique;Merchan,FranciscoL.;Merino,Pedro;Orduna,Jesus;Tejero,Tomas[JournalofHeterocyclicChemistry,1991,vol.28,#2,p.359-363]

134-20-3    2131-61-5    72176-80-8 

[1]Garin,Javier;Melendez,Enrique;Merchan,FranciscoL.;Merino,Pedro;Orduna,Jesus;Tejero,Tomas[JournalofHeterocyclicChemistry,1991,vol.28,#2,p.359-363]

3315-16-0    72176-80-8    1298113-87-7 

[1]Locationinpatent:experimentalpartKale,RajuR.;Prasad,Virendra;Tiwari,VinodK.[Synlett,2011,#2,p.195-198]

100-01-6    134-20-3    4314-19-6    72176-80-8 

[1]Locationinpatent:experimentalpartKale,RajuR.;Prasad,Virendra;Tiwari,VinodK.[Synlett,2011,#2,p.195-198]

118-48-9    2131-61-5    72176-80-8 

[1]Locationinpatent:experimentalpartYavari,Issa;Beheshti,Saeideh[HelveticaChimicaActa,2011,vol.94,#10,p.1825-1830]

[2]Patil,MayuriV.;Mhaldar,PradeepM.;Tayade,ShivajiN.;Rashinkar,GajananS.;Pore,DattaprasadM.[JournalofMolecularLiquids,2022,vol.359]

[3]Patil,MayuriV.;Mhaldar,PradeepM.;Tayade,ShivajiN.;Rashinkar,GajananS.;Pore,DattaprasadM.[JournalofMolecularLiquids,2022,vol.359]

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