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Home > Aldehydes > 1697570-49-2
1697570-49-2 | 2-(1-oxo-1lambda4-thiomorpholin-4-yl)pyridine-3-carbaldehyde
CAS No: 1697570-49-2 Catalog No: AG01C8RQ MDL No:
Product Description
Catalog Number:
AG01C8RQ
Chemical Name:
2-(1-oxo-1lambda4-thiomorpholin-4-yl)pyridine-3-carbaldehyde
CAS Number:
1697570-49-2
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
IUPAC Name:
2-(1-oxo-1,4-thiazinan-4-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C10H12N2O2S/c13-8-9-2-1-3-11-10(9)12-4-6-15(14)7-5-12/h1-3,8H,4-7H2
InChI Key:
RAECQXAVQADAIG-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1N1CCS(=O)CC1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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