Clotioxone
CAS No.:1856-34-4
Synonyms:
Clotioxone
Clotioxone [INN:DCF]
RP 13607
2-Phenyl-4-((trichloromethyl)thio-1,3,4-oxadiazolin-5-one.
1856-34-4
dCF
Properties Computed from Structure:
Molecular Weight 311.5722 [g/mol]
Molecular Formula C9H5Cl3N2O2S
XLogP 4.4
H-Bond Donor 0
H-Bond Acceptor 3
Rotatable Bond Count 2
Exact Mass 309.913731
MonoIsotopic Mass 309.913731
Topological Polar Surface Area 41.9
Heavy Atom Count 17
Formal Charge 0
Complexity 340
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: 5-phenyl-3-(trichloromethylsulfanyl)-1,3,4-oxadiazol-2-one
Canonical SMILES: C1=CC=C(C=C1)C2=NN(C(=O)O2)SC(Cl)(Cl)Cl
InChI: InChI=1/C9H5Cl3N2O2S/c10-9(11,
12)17-14-8(15)16-7(13-14)6-4-2-1-3-5-6/h1-5H
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