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Home Other Building Blocks 2-(Methylthio)quinazolin-4-amine

2-(Methylthio)quinazolin-4-amine

CAS No.:
63963-40-6
Catalog Number:
AG00EFHG
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$132
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Product Description
Catalog Number:
AG00EFHG
Chemical Name:
2-(Methylthio)quinazolin-4-amine
CAS Number:
63963-40-6
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
MDL Number:
MFCD00799294
IUPAC Name:
2-methylsulfanylquinazolin-4-amine
InChI:
InChI=1S/C9H9N3S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3,(H2,10,11,12)
InChI Key:
MXRPUVYQSUYFTH-UHFFFAOYSA-N
SMILES:
CSc1nc2ccccc2c(n1)N
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties