4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one

C10H14O3S2 — CID 20758371

IUPAC4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one
SMILESCOC(CC(C)=O)CS(=O)c1cccs1
InChIInChI=1S/C10H14O3S2/c1-8(11)6-9(13-2)7-15(12)10-4-3-5-14-10/h3-5,9H,6-7H2,1-2H3
InChIKeyOTHBYOLBOBAMJM-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.85
Rot. Bonds6

About 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one

4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one (PubChem CID 20758371) has the molecular formula C10H14O3S2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one.

Molecular Properties

Compound Name4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one
PubChem CID20758371
Molecular FormulaC10H14O3S2
Molecular Weight246.35 g/mol
Exact Mass246.04
IUPAC Name4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one
SMILESCOC(CC(C)=O)CS(=O)c1cccs1
InChIInChI=1S/C10H14O3S2/c1-8(11)6-9(13-2)7-15(12)10-4-3-5-14-10/h3-5,9H,6-7H2,1-2H3
InChIKeyOTHBYOLBOBAMJM-UHFFFAOYSA-N
XLogP1.85
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one?
The IUPAC name of 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one (CID 20758371) is 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one.
What is the SMILES notation for 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one?
The canonical SMILES for 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one is COC(CC(C)=O)CS(=O)c1cccs1.
What is the InChIKey of 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one?
The InChIKey is OTHBYOLBOBAMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S2/c1-8(11)6-9(13-2)7-15(12)10-4-3-5-14-10/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one?
4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one has a molecular weight of 246.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-thiophen-2-ylsulfinylpentan-2-one is sourced from PubChem (CID 20758371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).