5-methyl-2-methylsulfonylthiophene-3-carboxylic acid

C7H8O4S2 — CID 678408

IUPAC5-methyl-2-methylsulfonylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(S(C)(=O)=O)s1
InChIInChI=1S/C7H8O4S2/c1-4-3-5(6(8)9)7(12-4)13(2,10)11/h3H,1-2H3,(H,8,9)
InChIKeyDSGQILVAIIURPV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.16
Rot. Bonds2

About 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid

5-methyl-2-methylsulfonylthiophene-3-carboxylic acid (PubChem CID 678408) has the molecular formula C7H8O4S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-methylsulfonylthiophene-3-carboxylic acid
PubChem CID678408
Molecular FormulaC7H8O4S2
Molecular Weight220.27 g/mol
Exact Mass219.99
IUPAC Name5-methyl-2-methylsulfonylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(S(C)(=O)=O)s1
InChIInChI=1S/C7H8O4S2/c1-4-3-5(6(8)9)7(12-4)13(2,10)11/h3H,1-2H3,(H,8,9)
InChIKeyDSGQILVAIIURPV-UHFFFAOYSA-N
XLogP1.16
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid (CID 678408) is 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(S(C)(=O)=O)s1.
What is the InChIKey of 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid?
The InChIKey is DSGQILVAIIURPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4S2/c1-4-3-5(6(8)9)7(12-4)13(2,10)11/h3H,1-2H3,(H,8,9).
What are the key properties of 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid?
5-methyl-2-methylsulfonylthiophene-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfonylthiophene-3-carboxylic acid is sourced from PubChem (CID 678408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).