3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one

C17H14OS — CID 154692194

IUPAC3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one
SMILESC=C1CC(=O)c2ccc(Sc3cccc(C)c3)cc21
InChIInChI=1S/C17H14OS/c1-11-4-3-5-13(8-11)19-14-6-7-15-16(10-14)12(2)9-17(15)18/h3-8,10H,2,9H2,1H3
InChIKeyTVDWUHQLHNJIKD-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.75
Rot. Bonds2

About 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one

3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one (PubChem CID 154692194) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one.

Molecular Properties

Compound Name3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one
PubChem CID154692194
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one
SMILESC=C1CC(=O)c2ccc(Sc3cccc(C)c3)cc21
InChIInChI=1S/C17H14OS/c1-11-4-3-5-13(8-11)19-14-6-7-15-16(10-14)12(2)9-17(15)18/h3-8,10H,2,9H2,1H3
InChIKeyTVDWUHQLHNJIKD-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one?
The IUPAC name of 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one (CID 154692194) is 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one.
What is the SMILES notation for 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one?
The canonical SMILES for 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one is C=C1CC(=O)c2ccc(Sc3cccc(C)c3)cc21.
What is the InChIKey of 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one?
The InChIKey is TVDWUHQLHNJIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-11-4-3-5-13(8-11)19-14-6-7-15-16(10-14)12(2)9-17(15)18/h3-8,10H,2,9H2,1H3.
What are the key properties of 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one?
3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one has a molecular weight of 266.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-(3-methylphenyl)sulfanylinden-1-one is sourced from PubChem (CID 154692194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).