Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 327.4869 [g/mol] Molecular Formula C19H25N3S XLogP 6.1 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 4 Tautomer Count 3 Exact Mass 327.176919 MonoIsotopic Mass 327.176919 Topological Polar Surface Area 36.8 Heavy Atom Count 23 Formal Charge 0 Complexity 458 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N'-(1-adamantyl)-N-[(2-methylphenyl)methylideneamino]-1-
sulfanylmethanimidamide
Canonical SMILES: CC1=CC=CC=C1C=NNC(=NC23CC4CC(C2)CC(C4)C3)S
InChI: InChI=1/C19H25N3S/c1-13-4-2-3-5-17(13)12-20-22-18(23)21-19-9-14-6-15(10-
19)8-16(7-14)11-19/h2-5,12,14-16H,6-11H2,1H3,(H2,21,22,
23)/f/h22-23H/b20-12u,21-18-
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