Home Other Building Blocks 4-(4-methylphenyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-(4-methylphenyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

CAS No.:
67442-92-6
Catalog Number:
AG019I9X
Molecular Formula:
C16H12N4OS
Molecular Weight:
308.3577
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Product Description
Catalog Number:
AG019I9X
Chemical Name:
4-(4-methylphenyl)-1-sulfanyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CAS Number:
67442-92-6
Molecular Formula:
C16H12N4OS
Molecular Weight:
308.3577
MDL Number:
MFCD03987293
IUPAC Name:
4-(4-methylphenyl)-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
InChI:
InChI=1S/C16H12N4OS/c1-10-6-8-11(9-7-10)19-14(21)12-4-2-3-5-13(12)20-15(19)17-18-16(20)22/h2-9H,1H3,(H,18,22)
InChI Key:
AZHQVMAGKAZQIP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(=O)c2ccccc2n2c1nnc2S
Properties
Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.073g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.359g/mol
Monoisotopic Mass:
308.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties