Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 299.34608 [g/mol] Molecular Formula C12H17N3O4S XLogP 1.8 H-Bond Donor 1 H-Bond Acceptor 7 Rotatable Bond Count 9 Tautomer Count 3 Exact Mass 299.093977 MonoIsotopic Mass 299.093977 Topological Polar Surface Area 85.4 Heavy Atom Count 20 Formal Charge 0 Complexity 374 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 2 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-[[[(2-(1-furan-2-ylethylidene)hydrazinyl)-sulfanylmethylidene]amino]
methoxy]ethyl acetate
Canonical SMILES: CC(=NNC(=NCOCCOC(=O)C)S)C1=CC=CO1
InChI: InChI=1/C12H17N3O4S/c1-9(11-4-3-5-19-11)14-15-12(20)13-8-17-6-7-18-10(2)
16/h3-5H,6-8H2,1-2H3,(H2,13,15,20)/f/h15,20H/b13-12-,14-9u
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