dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium

C8H11OS2+ — CID 5200476

IUPACdimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
SMILESC[S+](C)CC(=O)c1cccs1
InChIInChI=1S/C8H11OS2/c1-11(2)6-7(9)8-4-3-5-10-8/h3-5H,6H2,1-2H3/q+1
InChIKeyLHBZJTYOQLEZOO-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.81
Rot. Bonds3

About dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium

dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium (PubChem CID 5200476) has the molecular formula C8H11OS2+ and a molecular weight of 187.31 g/mol. Its IUPAC name is dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium.

Molecular Properties

Compound Namedimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
PubChem CID5200476
Molecular FormulaC8H11OS2+
Molecular Weight187.31 g/mol
Exact Mass187.02
IUPAC Namedimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
SMILESC[S+](C)CC(=O)c1cccs1
InChIInChI=1S/C8H11OS2/c1-11(2)6-7(9)8-4-3-5-10-8/h3-5H,6H2,1-2H3/q+1
InChIKeyLHBZJTYOQLEZOO-UHFFFAOYSA-N
XLogP1.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
CID 2064474
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
amino 3-oxo-3-thiophen-2-ylpropanoate
CID 68635142
butanoyl 4-oxo-4-thiophen-2-ylbutanoate
CID 174440154
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685
N,N-diethylthiophene-2-carboxamide
CID 962897
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium?
The IUPAC name of dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium (CID 5200476) is dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium.
What is the SMILES notation for dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium?
The canonical SMILES for dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium is C[S+](C)CC(=O)c1cccs1.
What is the InChIKey of dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium?
The InChIKey is LHBZJTYOQLEZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11OS2/c1-11(2)6-7(9)8-4-3-5-10-8/h3-5H,6H2,1-2H3/q+1.
What are the key properties of dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium?
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium has a molecular weight of 187.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium is sourced from PubChem (CID 5200476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).