4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid

C10H8N2O2S2 — CID 79140538

IUPAC4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid
SMILESCc1ccc(Sc2csc(C(=O)O)c2)nn1
InChIInChI=1S/C10H8N2O2S2/c1-6-2-3-9(12-11-6)16-7-4-8(10(13)14)15-5-7/h2-5H,1H3,(H,13,14)
InChIKeyIXAKKNYHJQHCLK-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.70
Rot. Bonds3

About 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid

4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid (PubChem CID 79140538) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid
PubChem CID79140538
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid
SMILESCc1ccc(Sc2csc(C(=O)O)c2)nn1
InChIInChI=1S/C10H8N2O2S2/c1-6-2-3-9(12-11-6)16-7-4-8(10(13)14)15-5-7/h2-5H,1H3,(H,13,14)
InChIKeyIXAKKNYHJQHCLK-UHFFFAOYSA-N
XLogP2.70
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-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 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid?
The IUPAC name of 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid (CID 79140538) is 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid is Cc1ccc(Sc2csc(C(=O)O)c2)nn1.
What is the InChIKey of 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid?
The InChIKey is IXAKKNYHJQHCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c1-6-2-3-9(12-11-6)16-7-4-8(10(13)14)15-5-7/h2-5H,1H3,(H,13,14).
What are the key properties of 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid?
4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid has a molecular weight of 252.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyridazin-3-yl)sulfanylthiophene-2-carboxylic acid is sourced from PubChem (CID 79140538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).