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Home Other Building Blocks 6-PHENYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE

6-PHENYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE

CAS No.:
35970-78-6
Catalog Number:
AG00C9L8
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
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Product Description
Catalog Number:
AG00C9L8
Chemical Name:
6-PHENYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
CAS Number:
35970-78-6
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
MDL Number:
MFCD01564518
IUPAC Name:
6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C12H8N2OS/c15-11-9-6-10(8-4-2-1-3-5-8)16-12(9)14-7-13-11/h1-7H,(H,13,14,15)
InChI Key:
DOGYRNXYBVJXFA-UHFFFAOYSA-N
SMILES:
O=c1[nH]cnc2c1cc(s2)c1ccccc1
Properties
Complexity:
312  
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:
2.4  
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