2-methylsulfonylthiophene

C5H6O2S2 — CID 707933

IUPAC2-methylsulfonylthiophene
SMILESCS(=O)(=O)c1cccs1
InChIInChI=1S/C5H6O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3
InChIKeyBNYLGFINMVZZGA-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.15
Rot. Bonds1

About 2-methylsulfonylthiophene

2-methylsulfonylthiophene (PubChem CID 707933) has the molecular formula C5H6O2S2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methylsulfonylthiophene.

Molecular Properties

Compound Name2-methylsulfonylthiophene
PubChem CID707933
Molecular FormulaC5H6O2S2
Molecular Weight162.24 g/mol
Exact Mass161.98
IUPAC Name2-methylsulfonylthiophene
SMILESCS(=O)(=O)c1cccs1
InChIInChI=1S/C5H6O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3
InChIKeyBNYLGFINMVZZGA-UHFFFAOYSA-N
XLogP1.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylthiophene?
The IUPAC name of 2-methylsulfonylthiophene (CID 707933) is 2-methylsulfonylthiophene.
What is the SMILES notation for 2-methylsulfonylthiophene?
The canonical SMILES for 2-methylsulfonylthiophene is CS(=O)(=O)c1cccs1.
What is the InChIKey of 2-methylsulfonylthiophene?
The InChIKey is BNYLGFINMVZZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S2/c1-9(6,7)5-3-2-4-8-5/h2-4H,1H3.
What are the key properties of 2-methylsulfonylthiophene?
2-methylsulfonylthiophene has a molecular weight of 162.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylthiophene is sourced from PubChem (CID 707933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).