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1696534-93-6 | 2-[methyl(thiolan-3-yl)amino]pyridine-3-carbaldehyde
CAS No: 1696534-93-6 Catalog No: AG01C8RO MDL No:MFCD29959584
Product Description
Catalog Number:
AG01C8RO
Chemical Name:
2-[methyl(thiolan-3-yl)amino]pyridine-3-carbaldehyde
CAS Number:
1696534-93-6
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD29959584
IUPAC Name:
2-[methyl(thiolan-3-yl)amino]pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H14N2OS/c1-13(10-4-6-15-8-10)11-9(7-14)3-2-5-12-11/h2-3,5,7,10H,4,6,8H2,1H3
InChI Key:
CLLVEYVSBQTAFJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1N(C1CSCC1)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:
3
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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