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Home Other Building Blocks 2-(propan-2-yl)-3,4-dihydroquinazoline-4-thione

2-(propan-2-yl)-3,4-dihydroquinazoline-4-thione

CAS No.:
13193-53-8
Catalog Number:
AG01BE1X
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
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Product Description
Catalog Number:
AG01BE1X
Chemical Name:
2-(propan-2-yl)-3,4-dihydroquinazoline-4-thione
CAS Number:
13193-53-8
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
MDL Number:
MFCD03713577
IUPAC Name:
2-propan-2-yl-1H-quinazoline-4-thione
InChI:
InChI=1S/C11H12N2S/c1-7(2)10-12-9-6-4-3-5-8(9)11(14)13-10/h3-7H,1-2H3,(H,12,13,14)
InChI Key:
JQFZNBGEAOFSEC-UHFFFAOYSA-N
SMILES:
CC(c1nc2ccccc2c(=S)[nH]1)C
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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