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Home > Pyridines > 502649-36-7
502649-36-7 | 2-ethyl-4H,5H-thieno[3,2-c]pyridin-4-one
CAS No: 502649-36-7 Catalog No: AG01BV82 MDL No:MFCD22557089
Product Description
Catalog Number:
AG01BV82
Chemical Name:
2-ethyl-4H,5H-thieno[3,2-c]pyridin-4-one
CAS Number:
502649-36-7
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD22557089
IUPAC Name:
2-ethyl-5H-thieno[3,2-c]pyridin-4-one
InChI:
InChI=1S/C9H9NOS/c1-2-6-5-7-8(12-6)3-4-10-9(7)11/h3-5H,2H2,1H3,(H,10,11)
InChI Key:
QLAOSUCACFAQOM-UHFFFAOYSA-N
SMILES:
CCc1sc2c(c1)c(=O)[nH]cc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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