2-methylsulfinyl-1-thiophen-2-ylethanone

C7H8O2S2 — CID 3066320

IUPAC2-methylsulfinyl-1-thiophen-2-ylethanone
SMILESCS(=O)CC(=O)c1cccs1
InChIInChI=1S/C7H8O2S2/c1-11(9)5-6(8)7-3-2-4-10-7/h2-4H,5H2,1H3
InChIKeyOQLIBYCXBFTLKX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.31
Rot. Bonds3

About 2-methylsulfinyl-1-thiophen-2-ylethanone

2-methylsulfinyl-1-thiophen-2-ylethanone (PubChem CID 3066320) has the molecular formula C7H8O2S2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methylsulfinyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-methylsulfinyl-1-thiophen-2-ylethanone
PubChem CID3066320
Molecular FormulaC7H8O2S2
Molecular Weight188.27 g/mol
Exact Mass188.00
IUPAC Name2-methylsulfinyl-1-thiophen-2-ylethanone
SMILESCS(=O)CC(=O)c1cccs1
InChIInChI=1S/C7H8O2S2/c1-11(9)5-6(8)7-3-2-4-10-7/h2-4H,5H2,1H3
InChIKeyOQLIBYCXBFTLKX-UHFFFAOYSA-N
XLogP1.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-methylsulfinyl-1-thiophen-2-ylethanone (CID 3066320) is 2-methylsulfinyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-methylsulfinyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-methylsulfinyl-1-thiophen-2-ylethanone is CS(=O)CC(=O)c1cccs1.
What is the InChIKey of 2-methylsulfinyl-1-thiophen-2-ylethanone?
The InChIKey is OQLIBYCXBFTLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S2/c1-11(9)5-6(8)7-3-2-4-10-7/h2-4H,5H2,1H3.
What are the key properties of 2-methylsulfinyl-1-thiophen-2-ylethanone?
2-methylsulfinyl-1-thiophen-2-ylethanone has a molecular weight of 188.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 3066320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).