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Home Other Building Blocks 41835-24-9
41835-24-9,MFCD00025451
Catalog No.:AA00BXPL

41835-24-9 | 1-BENZOYL-2-THIOBIURET

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10g
1 week  
$249.00   $174.00
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Technical Information
Catalog Number:
AA00BXPL
Chemical Name:
1-BENZOYL-2-THIOBIURET
CAS Number:
41835-24-9
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
MDL Number:
MFCD00025451
SMILES:
O=C(c1ccccc1)NC(=S)NC(=O)N
NSC Number:
142465
Properties
Properties
 
Form:
Solid  
MP:
173-175℃  

Computed Properties
 
Complexity:
275  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
1  
XLogP3:
1.9  

Literature

Title: 1-Benzoyl-2-thio-biuret.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

Title: Use of simple docking methods to screen a virtual library for heteroactivators of cytochrome P450 2C9.

Journal: Journal of medicinal chemistry 20070322

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SDS
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