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Home > Aldehydes > 1695227-94-1
1695227-94-1 | 2-(2-methylthiomorpholin-4-yl)pyridine-3-carbaldehyde
CAS No: 1695227-94-1 Catalog No: AG01C8RP MDL No:MFCD31443219
Product Description
Catalog Number:
AG01C8RP
Chemical Name:
2-(2-methylthiomorpholin-4-yl)pyridine-3-carbaldehyde
CAS Number:
1695227-94-1
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD31443219
IUPAC Name:
2-(2-methylthiomorpholin-4-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H14N2OS/c1-9-7-13(5-6-15-9)11-10(8-14)3-2-4-12-11/h2-4,8-9H,5-7H2,1H3
InChI Key:
FNMXIKWOSMIGSQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1N1CCSC(C1)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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