Free Chemical Databases
-
[Synonyms]
NSC67664
25478-53-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 191.29262 [g/mol] Molecular Formula C11H13NS XLogP 2.5 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 2 Exact Mass 191.07687 MonoIsotopic Mass 191.07687 Topological Polar Surface Area 12.4 Heavy Atom Count 13 Formal Charge 0 Complexity 183 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-(phenylmethyl)-5,6-dihydro-4H-1,3-thiazine
Canonical SMILES: C1CN=C(SC1)CC2=CC=CC=C2
InChI: InChI=1/C11H13NS/c1-2-5-10(6-3-1)9-11-12-7-4-8-13-11/h1-3,5-6H,4,7-9H2
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