4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one

C11H16O3S2 — CID 20758373

IUPAC4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one
SMILESCOC(CCS(=O)c1cccs1)CC(C)=O
InChIInChI=1S/C11H16O3S2/c1-9(12)8-10(14-2)5-7-16(13)11-4-3-6-15-11/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyZILSQTNYLPJFMA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.24
Rot. Bonds7

About 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one

4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one (PubChem CID 20758373) has the molecular formula C11H16O3S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one.

Molecular Properties

Compound Name4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one
PubChem CID20758373
Molecular FormulaC11H16O3S2
Molecular Weight260.38 g/mol
Exact Mass260.05
IUPAC Name4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one
SMILESCOC(CCS(=O)c1cccs1)CC(C)=O
InChIInChI=1S/C11H16O3S2/c1-9(12)8-10(14-2)5-7-16(13)11-4-3-6-15-11/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyZILSQTNYLPJFMA-UHFFFAOYSA-N
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one?
The IUPAC name of 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one (CID 20758373) is 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one.
What is the SMILES notation for 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one?
The canonical SMILES for 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one is COC(CCS(=O)c1cccs1)CC(C)=O.
What is the InChIKey of 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one?
The InChIKey is ZILSQTNYLPJFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S2/c1-9(12)8-10(14-2)5-7-16(13)11-4-3-6-15-11/h3-4,6,10H,5,7-8H2,1-2H3.
What are the key properties of 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one?
4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-thiophen-2-ylsulfinylhexan-2-one is sourced from PubChem (CID 20758373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).