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Home Other Building Blocks 4-(thiophen-2-yl)-1,2-dihydrophthalazin-1-one

4-(thiophen-2-yl)-1,2-dihydrophthalazin-1-one

CAS No.:
137382-45-7
Catalog Number:
AG019P0H
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
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Product Description
Catalog Number:
AG019P0H
Chemical Name:
4-(thiophen-2-yl)-1,2-dihydrophthalazin-1-one
CAS Number:
137382-45-7
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
MDL Number:
MFCD01847388
IUPAC Name:
4-thiophen-2-yl-2H-phthalazin-1-one
InChI:
InChI=1S/C12H8N2OS/c15-12-9-5-2-1-4-8(9)11(13-14-12)10-6-3-7-16-10/h1-7H,(H,14,15)
InChI Key:
WFVUDUWXXLCTTM-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1cccc2)c1cccs1
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.036g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.269g/mol
Monoisotopic Mass:
228.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
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