2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid

C8H10N2O2S — CID 81229442

IUPAC2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid
SMILESCC(C)(Sc1cccnn1)C(=O)O
InChIInChI=1S/C8H10N2O2S/c1-8(2,7(11)12)13-6-4-3-5-9-10-6/h3-5H,1-2H3,(H,11,12)
InChIKeyRVDGJDHSUHOAMP-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.43
Rot. Bonds3

About 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid

2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid (PubChem CID 81229442) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid
PubChem CID81229442
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid
SMILESCC(C)(Sc1cccnn1)C(=O)O
InChIInChI=1S/C8H10N2O2S/c1-8(2,7(11)12)13-6-4-3-5-9-10-6/h3-5H,1-2H3,(H,11,12)
InChIKeyRVDGJDHSUHOAMP-UHFFFAOYSA-N
XLogP1.43
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-pyridazin-3-ylsulfanylpropanoic 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 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid (CID 81229442) is 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid is CC(C)(Sc1cccnn1)C(=O)O.
What is the InChIKey of 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid?
The InChIKey is RVDGJDHSUHOAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-8(2,7(11)12)13-6-4-3-5-9-10-6/h3-5H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid?
2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid has a molecular weight of 198.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyridazin-3-ylsulfanylpropanoic acid is sourced from PubChem (CID 81229442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).