Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 276.78442 [g/mol] Molecular Formula C14H13ClN2S XLogP 4.2 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 3 Tautomer Count 3 Exact Mass 276.048797 MonoIsotopic Mass 276.048797 Topological Polar Surface Area 24.4 Heavy Atom Count 18 Formal Charge 0 Complexity 290 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: N'-(3-chloro-2-methylphenyl)-N-phenyl-1-sulfanylmethanimidamide
Canonical SMILES: CC1=C(C=CC=C1Cl)N=C(NC2=CC=CC=C2)S
InChI: InChI=1/C14H13ClN2S/c1-10-12(15)8-5-9-13(10)17-14(18)16-11-6-3-2-4-7-11/
h2-9H,1H3,(H2,16,17,18)/f/h16,18H/b17-14-
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