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1696798-48-7 | 2-(3-methylthiomorpholin-4-yl)pyridine-3-carbaldehyde
CAS No: 1696798-48-7 Catalog No: AG01C8RM MDL No:MFCD31443217
Product Description
Catalog Number:
AG01C8RM
Chemical Name:
2-(3-methylthiomorpholin-4-yl)pyridine-3-carbaldehyde
CAS Number:
1696798-48-7
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD31443217
IUPAC Name:
2-(3-methylthiomorpholin-4-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H14N2OS/c1-9-8-15-6-5-13(9)11-10(7-14)3-2-4-12-11/h2-4,7,9H,5-6,8H2,1H3
InChI Key:
FCIGXSZXKWIMFJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1N1CCSCC1C
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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