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886502-54-1 | 5-(4-Methyl-pyrimidin-2-ylsulfanyl)-furan-2-carbaldehyde
CAS No: 886502-54-1 Catalog No: AG01EYF0 MDL No:
Product Description
Catalog Number:
AG01EYF0
Chemical Name:
5-(4-Methyl-pyrimidin-2-ylsulfanyl)-furan-2-carbaldehyde
CAS Number:
886502-54-1
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
IUPAC Name:
5-(4-methylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde
InChI:
InChI=1S/C10H8N2O2S/c1-7-4-5-11-10(12-7)15-9-3-2-8(6-13)14-9/h2-6H,1H3
InChI Key:
OOGYCWSHTHIGKG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)Sc1nccc(n1)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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