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Home Other Building Blocks 1-{4-methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one

1-{4-methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one

CAS No.:
733044-95-6
Catalog Number:
AG019HXX
Molecular Formula:
C14H14N2O2S
Molecular Weight:
274.3382
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Product Description
Catalog Number:
AG019HXX
Chemical Name:
1-{4-methoxy-3-[(pyrimidin-2-ylsulfanyl)methyl]phenyl}ethan-1-one
CAS Number:
733044-95-6
Molecular Formula:
C14H14N2O2S
Molecular Weight:
274.3382
MDL Number:
MFCD03981001
IUPAC Name:
1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethanone
InChI:
InChI=1S/C14H14N2O2S/c1-10(17)11-4-5-13(18-2)12(8-11)9-19-14-15-6-3-7-16-14/h3-8H,9H2,1-2H3
InChI Key:
IJJJQLCNLWTGPW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CSc1ncccn1)C(=O)C
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.078g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.338g/mol
Monoisotopic Mass:
274.078g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
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