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Home Other Building Blocks 3-benzyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

3-benzyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one

CAS No.:
440323-55-7
Catalog Number:
AG019JVG
Molecular Formula:
C13H10N2OS2
Molecular Weight:
274.3613
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Product Description
Catalog Number:
AG019JVG
Chemical Name:
3-benzyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CAS Number:
440323-55-7
Molecular Formula:
C13H10N2OS2
Molecular Weight:
274.3613
MDL Number:
MFCD06345721
IUPAC Name:
3-benzyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C13H10N2OS2/c16-12-11-10(6-7-18-11)14-13(17)15(12)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)
InChI Key:
OPQCANYPSHWIDV-UHFFFAOYSA-N
SMILES:
Sc1nc2ccsc2c(=O)n1Cc1ccccc1
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.023g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.356g/mol
Monoisotopic Mass:
274.023g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.7A^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