dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium

C12H15OS+ — CID 23535109

IUPACdimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium
SMILESC[S+](C)C1(C)Cc2ccccc2C1=O
InChIInChI=1S/C12H15OS/c1-12(14(2)3)8-9-6-4-5-7-10(9)11(12)13/h4-7H,8H2,1-3H3/q+1
InChIKeySKYGHNJSHQTVOW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.06
Rot. Bonds1

About dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium

dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium (PubChem CID 23535109) has the molecular formula C12H15OS+ and a molecular weight of 207.32 g/mol. Its IUPAC name is dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium.

Molecular Properties

Compound Namedimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium
PubChem CID23535109
Molecular FormulaC12H15OS+
Molecular Weight207.32 g/mol
Exact Mass207.08
IUPAC Namedimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium
SMILESC[S+](C)C1(C)Cc2ccccc2C1=O
InChIInChI=1S/C12H15OS/c1-12(14(2)3)8-9-6-4-5-7-10(9)11(12)13/h4-7H,8H2,1-3H3/q+1
InChIKeySKYGHNJSHQTVOW-UHFFFAOYSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium?
The IUPAC name of dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium (CID 23535109) is dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium.
What is the SMILES notation for dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium?
The canonical SMILES for dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium is C[S+](C)C1(C)Cc2ccccc2C1=O.
What is the InChIKey of dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium?
The InChIKey is SKYGHNJSHQTVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15OS/c1-12(14(2)3)8-9-6-4-5-7-10(9)11(12)13/h4-7H,8H2,1-3H3/q+1.
What are the key properties of dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium?
dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium has a molecular weight of 207.32 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methyl-3-oxo-1H-inden-2-yl)sulfanium is sourced from PubChem (CID 23535109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).