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Home Other Building Blocks 3-(propan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

3-(propan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS No.:
21038-90-4
Catalog Number:
AG019J0V
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
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Product Description
Catalog Number:
AG019J0V
Chemical Name:
3-(propan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS Number:
21038-90-4
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD00087300
IUPAC Name:
3-propan-2-yl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C11H12N2OS/c1-7(2)13-10(14)8-5-3-4-6-9(8)12-11(13)15/h3-7H,1-2H3,(H,12,15)
InChI Key:
NMKBNUTUGMKWQF-UHFFFAOYSA-N
SMILES:
CC(n1c(S)nc2c(c1=O)cccc2)C
NSC Number:
150544
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties