Free Chemical Databases
-
[Synonyms]
NSC44888
ST5408242
10490-07-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 244.30888 [g/mol] Molecular Formula C14H12O2S XLogP 3.4 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 4 Exact Mass 244.0558 MonoIsotopic Mass 244.0558 Topological Polar Surface Area 37.3 Heavy Atom Count 17 Formal Charge 0 Complexity 243 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-phenyl-2-phenylsulfanylacetic acid
Canonical SMILES: C1=CC=C(C=C1)C(C(=O)O)SC2=CC=CC=C2
InChI: InChI=1/C14H12O2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-
10,13H,(H,15,16)/f/h15H
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