ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane

C15H17NOS — CID 14227314

IUPACethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane
SMILESCCS(=O)(=Nc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C15H17NOS/c1-3-18(17,15-11-9-13(2)10-12-15)16-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyXTORIOJAEJHUNG-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.17
Rot. Bonds3

About ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane

ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane (PubChem CID 14227314) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane.

Molecular Properties

Compound Nameethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane
PubChem CID14227314
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Nameethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane
SMILESCCS(=O)(=Nc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C15H17NOS/c1-3-18(17,15-11-9-13(2)10-12-15)16-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyXTORIOJAEJHUNG-UHFFFAOYSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(phenylimino-λ4-sulfanylidene)benzenesulfonamide
CID 23936503
benzene;4-methylbenzenesulfonic acid
CID 22637252
N-[2-(diethylamino)ethyl-oxo-phenyl-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 101212834
[3-(4-methylphenyl)sulfonylphenyl]-phenyldiazene
CID 162399692
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
azulene;4-methylbenzenesulfonic acid
CID 172756596
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
ethyl-(4-methoxyphenyl)-oxo-(2,4,6-trimethylphenyl)imino-λ6-sulfane
CID 138965608
N-[[4-(chloromethyl)phenyl]-ethyl-oxo-λ6-sulfanylidene]-4-methylbenzenesulfonamide
CID 153283469
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491

Frequently Asked Questions

What is the IUPAC name of ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane?
The IUPAC name of ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane (CID 14227314) is ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane.
What is the SMILES notation for ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane?
The canonical SMILES for ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane is CCS(=O)(=Nc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane?
The InChIKey is XTORIOJAEJHUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-3-18(17,15-11-9-13(2)10-12-15)16-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane?
ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane has a molecular weight of 259.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane is sourced from PubChem (CID 14227314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).