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13906-09-7

13906-09-7 | 4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-

CAS No: 13906-09-7 Catalog No: AG001A3S MDL No:MFCD00206875

Product Description

Catalog Number:
AG001A3S
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-
CAS Number:
13906-09-7
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD00206875
IUPAC Name:
2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChI Key:
PUPFOFVEHDNUJU-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2ccccc2c(=O)[nH]1
EC Number:
237-676-3

Properties

Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Structural studies of human purine nucleoside phosphorylase: towards a new specific empirical scoring function. Archives of biochemistry and biophysics 20081101
MS and NMR investigation of bioactive quinazolones. Journal of biochemical and biophysical methods 20041029
Reactive oxygen scavenger effect of pyrimidines, benzotriazoles and related compounds. Anticancer research 20020101

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