ethyl 5-methylsulfonylthiophene-2-carboxylate

C8H10O4S2 — CID 58784241

IUPACethyl 5-methylsulfonylthiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C8H10O4S2/c1-3-12-8(9)6-4-5-7(13-6)14(2,10)11/h4-5H,3H2,1-2H3
InChIKeyUVLQPVHTXHLZEE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.33
Rot. Bonds3

About ethyl 5-methylsulfonylthiophene-2-carboxylate

ethyl 5-methylsulfonylthiophene-2-carboxylate (PubChem CID 58784241) has the molecular formula C8H10O4S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 5-methylsulfonylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methylsulfonylthiophene-2-carboxylate
PubChem CID58784241
Molecular FormulaC8H10O4S2
Molecular Weight234.30 g/mol
Exact Mass234.00
IUPAC Nameethyl 5-methylsulfonylthiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C8H10O4S2/c1-3-12-8(9)6-4-5-7(13-6)14(2,10)11/h4-5H,3H2,1-2H3
InChIKeyUVLQPVHTXHLZEE-UHFFFAOYSA-N
XLogP1.33
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylsulfonylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-methylsulfonylthiophene-2-carboxylate (CID 58784241) is ethyl 5-methylsulfonylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-methylsulfonylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-methylsulfonylthiophene-2-carboxylate is CCOC(=O)c1ccc(S(C)(=O)=O)s1.
What is the InChIKey of ethyl 5-methylsulfonylthiophene-2-carboxylate?
The InChIKey is UVLQPVHTXHLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S2/c1-3-12-8(9)6-4-5-7(13-6)14(2,10)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-methylsulfonylthiophene-2-carboxylate?
ethyl 5-methylsulfonylthiophene-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methylsulfonylthiophene-2-carboxylate is sourced from PubChem (CID 58784241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).