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16024-82-1,MFCD00041062
Catalog No.:AA001RPY

16024-82-1 | Methyl 2-isothiocyanatobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$56.00   $39.00
- +
25g
>98.0%(GC)(T)
in stock  
$111.00   $78.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001RPY
Chemical Name:
Methyl 2-isothiocyanatobenzoate
CAS Number:
16024-82-1
Molecular Formula:
C9H7NO2S
Molecular Weight:
193.2224
MDL Number:
MFCD00041062
SMILES:
S=C=Nc1ccccc1C(=O)OC
Properties
Properties
 
BP:
150 °C  
Form:
Liquid  
MP:
25°C  
Refractive Index:
1.5354-1.5374  
Stability:
Moisture Sensitive  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
236  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
3.2  

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]Beyrich,Thorsten;Theiss[Pharmazie,1998,vol.53,#12,p.853-858]

13754-19-3    16024-82-1   
3-(4-amino-pyrimidin-5-yl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one 

[1]Arzneimittel-Forschung/DrugResearch,2006,vol.56,p.665-670

16024-82-1    56-06-4   
2,6-bis(4-oxo-2-thioxo-1,2-dihydro-quinazolin-3-yl)-4-hydroxy-pyrimidine 

[1]Arzneimittel-Forschung/DrugResearch,2006,vol.56,p.665-670

[1]Ghorab,MoustafaM.;Barakat,SaberEl-Sayed;Saker,HelmyM.;AbdRabo,MahmoudM.[Arzneimittel-Forschung/DrugResearch,2006,vol.56,#9,p.665-670]

Literature

Title: Utility of methyl 2-isothiocyanatobenzoate in the synthesis of some new quinazoline derivatives as potential anticancer and radiosensitizing agents.

Journal: Arzneimittel-Forschung 20110101

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SDS
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