Free Chemical Databases
-
[Synonyms]
1,6-Dimethyl-phenothiazone
NSC641152
AIDS051017
AIDS-051017
NCI60_013813
[Structure]
[ Properties Computed from Structure]
Molecular Weight 241.30824 [g/mol] Molecular Formula C14H11NOS XLogP 1.9 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 0 Tautomer Count 3 Exact Mass 241.056135 MonoIsotopic Mass 241.056135 Topological Polar Surface Area 29.4 Heavy Atom Count 17 Formal Charge 0 Complexity 461 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: 1,6-dimethylphenothiazin-3-one
Canonical SMILES: CC1=C2C(=CC=C1)N=C3C(=CC(=O)C=C3S2)C
InChI: InChI=1/C14H11NOS/c1-8-4-3-5-11-14(8)17-12-7-10(16)6-9(2)13(12)15-11/h3-
7H,1-2H3
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