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Home > Pyridines > 1016696-41-5
1016696-41-5 | 2-(sulfanylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 1016696-41-5 Catalog No: AG019VUD MDL No:MFCD09817354
Product Description
Catalog Number:
AG019VUD
Chemical Name:
2-(sulfanylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
1016696-41-5
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD09817354
IUPAC Name:
2-(sulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C9H8N2OS/c12-9-5-7(6-13)10-8-3-1-2-4-11(8)9/h1-5,13H,6H2
InChI Key:
KUFCXHYHIPEVSK-UHFFFAOYSA-N
SMILES:
SCc1cc(=O)n2c(n1)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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