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Home > Aldehydes > 898289-24-2
898289-24-2 | 4-Pyridinecarboxaldehyde,2-(4-thiomorpholinyl)-
CAS No: 898289-24-2 Catalog No: AG003XMA MDL No:MFCD09702361
Product Description
Catalog Number:
AG003XMA
Chemical Name:
4-Pyridinecarboxaldehyde,2-(4-thiomorpholinyl)-
CAS Number:
898289-24-2
Molecular Formula:
C10H12N2OS
Molecular Weight:
208.2801
MDL Number:
MFCD09702361
IUPAC Name:
2-thiomorpholin-4-ylpyridine-4-carbaldehyde
InChI:
InChI=1S/C10H12N2OS/c13-8-9-1-2-11-10(7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2
InChI Key:
XESFZSHCANCGBY-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc(c1)N1CCSCC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.279g/mol
Monoisotopic Mass:
208.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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