Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 200.30114 [g/mol] Molecular Formula C9H16N2OS XLogP 0.3 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 3 Tautomer Count 3 Exact Mass 200.098334 MonoIsotopic Mass 200.098334 Topological Polar Surface Area 44.6 Heavy Atom Count 13 Formal Charge 0 Complexity 246 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-[(2,2-dimethyl-6-sulfanyl-3H-pyridin-4-yl)amino]ethanol
Canonical SMILES: CC1(CC(=CC(=N1)S)NCCO)C
InChI: InChI=1/C9H16N2OS/c1-9(2)6-7(10-3-4-12)5-8(13)11-9/h5,10,12H,3-4,6H2,
1-2H3,(H,11,13)/f/h13H
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