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1500713-91-6 | 6-[METHYL(THIOLAN-3-YL)AMINO]PYRIDINE-3-CARBALDEHYDE
CAS No: 1500713-91-6 Catalog No: AG01C8L6 MDL No:MFCD23952463
Product Description
Catalog Number:
AG01C8L6
Chemical Name:
6-[METHYL(THIOLAN-3-YL)AMINO]PYRIDINE-3-CARBALDEHYDE
CAS Number:
1500713-91-6
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD23952463
IUPAC Name:
6-[methyl(thiolan-3-yl)amino]pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H14N2OS/c1-13(10-4-5-15-8-10)11-3-2-9(7-14)6-12-11/h2-3,6-7,10H,4-5,8H2,1H3
InChI Key:
GVEYGDZJQYYOOH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(nc1)N(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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