methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane

C8H8F3NOS — CID 155560183

IUPACmethyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane
SMILESCS(=O)(=NC(F)(F)F)c1ccccc1
InChIInChI=1S/C8H8F3NOS/c1-14(13,12-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyIWJHLEVMUAMSBY-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.66
Rot. Bonds1

About methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane

methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane (PubChem CID 155560183) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane.

Molecular Properties

Compound Namemethyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane
PubChem CID155560183
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Namemethyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane
SMILESCS(=O)(=NC(F)(F)F)c1ccccc1
InChIInChI=1S/C8H8F3NOS/c1-14(13,12-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyIWJHLEVMUAMSBY-UHFFFAOYSA-N
XLogP2.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane?
The IUPAC name of methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane (CID 155560183) is methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane.
What is the SMILES notation for methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane?
The canonical SMILES for methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane is CS(=O)(=NC(F)(F)F)c1ccccc1.
What is the InChIKey of methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane?
The InChIKey is IWJHLEVMUAMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-14(13,12-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane?
methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane has a molecular weight of 223.22 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-oxo-phenyl-(trifluoromethylimino)-λ6-sulfane is sourced from PubChem (CID 155560183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).