(2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane

C16H18OS — CID 143136694

IUPAC(2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane
SMILESC=S(=O)(c1cccc(C)c1)c1cc(C)ccc1C
InChIInChI=1S/C16H18OS/c1-12-6-5-7-15(10-12)18(4,17)16-11-13(2)8-9-14(16)3/h5-11H,4H2,1-3H3
InChIKeyYNDJBRGEIQQPQL-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.75
Rot. Bonds2

About (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane

(2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane (PubChem CID 143136694) has the molecular formula C16H18OS and a molecular weight of 258.39 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane
PubChem CID143136694
Molecular FormulaC16H18OS
Molecular Weight258.39 g/mol
Exact Mass258.11
IUPAC Name(2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane
SMILESC=S(=O)(c1cccc(C)c1)c1cc(C)ccc1C
InChIInChI=1S/C16H18OS/c1-12-6-5-7-15(10-12)18(4,17)16-11-13(2)8-9-14(16)3/h5-11H,4H2,1-3H3
InChIKeyYNDJBRGEIQQPQL-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methylidene-(3-methylphenyl)-oxo-(trifluoromethyl)-λ6-sulfane
CID 123408730
1-(2,5-dimethylphenyl)sulfonylpyrrole
CID 22200809
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
(3-methylphenyl)sulfonylazanide
CID 158627668
3-methylbenzenesulfonamide
CID 69347063
1-ethenylsulfonyl-3-methylbenzene
CID 62950196
3-methyl-6-(3-methylphenyl)sulfonylbenzene-1,2-diol
CID 101301677
N-(2,6-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 8504690
diazomethane;bis(3-methylbenzenesulfonic acid)
CID 160752493
cesium 2,5-dimethylbenzenesulfonate
CID 100951961
2,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174425760
2,5-dimethylbenzenesulfonic acid;methane
CID 160542047

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane?
The IUPAC name of (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane (CID 143136694) is (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane.
What is the SMILES notation for (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane?
The canonical SMILES for (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane is C=S(=O)(c1cccc(C)c1)c1cc(C)ccc1C.
What is the InChIKey of (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane?
The InChIKey is YNDJBRGEIQQPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS/c1-12-6-5-7-15(10-12)18(4,17)16-11-13(2)8-9-14(16)3/h5-11H,4H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane?
(2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane has a molecular weight of 258.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-methylidene-(3-methylphenyl)-oxo-λ6-sulfane is sourced from PubChem (CID 143136694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).