methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane

C14H12F3NOS — CID 138965777

IUPACmethyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane
SMILESCS(=O)(=Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H12F3NOS/c1-20(19,13-8-3-2-4-9-13)18-12-7-5-6-11(10-12)14(15,16)17/h2-10H,1H3
InChIKeyZEWXAQJHLYFWOH-UHFFFAOYSA-N
MW299.32 g/mol
LogP4.49
Rot. Bonds2

About methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane

methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane (PubChem CID 138965777) has the molecular formula C14H12F3NOS and a molecular weight of 299.32 g/mol. Its IUPAC name is methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane.

Molecular Properties

Compound Namemethyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane
PubChem CID138965777
Molecular FormulaC14H12F3NOS
Molecular Weight299.32 g/mol
Exact Mass299.06
IUPAC Namemethyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane
SMILESCS(=O)(=Nc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C14H12F3NOS/c1-20(19,13-8-3-2-4-9-13)18-12-7-5-6-11(10-12)14(15,16)17/h2-10H,1H3
InChIKeyZEWXAQJHLYFWOH-UHFFFAOYSA-N
XLogP4.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The IUPAC name of methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane (CID 138965777) is methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane.
What is the SMILES notation for methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The canonical SMILES for methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane is CS(=O)(=Nc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane?
The InChIKey is ZEWXAQJHLYFWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS/c1-20(19,13-8-3-2-4-9-13)18-12-7-5-6-11(10-12)14(15,16)17/h2-10H,1H3.
What are the key properties of methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane?
methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane has a molecular weight of 299.32 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-phenyl-[3-(trifluoromethyl)phenyl]imino-λ6-sulfane is sourced from PubChem (CID 138965777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).