2-(6-methoxypyridazin-3-yl)sulfanylacetic acid

C7H8N2O3S — CID 6418483

IUPAC2-(6-methoxypyridazin-3-yl)sulfanylacetic acid
SMILESCOc1ccc(SCC(=O)O)nn1
InChIInChI=1S/C7H8N2O3S/c1-12-5-2-3-6(9-8-5)13-4-7(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyLYEOCEMPCQSTNW-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.66
Rot. Bonds4

About 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid

2-(6-methoxypyridazin-3-yl)sulfanylacetic acid (PubChem CID 6418483) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(6-methoxypyridazin-3-yl)sulfanylacetic acid
PubChem CID6418483
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-(6-methoxypyridazin-3-yl)sulfanylacetic acid
SMILESCOc1ccc(SCC(=O)O)nn1
InChIInChI=1S/C7H8N2O3S/c1-12-5-2-3-6(9-8-5)13-4-7(10)11/h2-3H,4H2,1H3,(H,10,11)
InChIKeyLYEOCEMPCQSTNW-UHFFFAOYSA-N
XLogP0.66
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid?
The IUPAC name of 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid (CID 6418483) is 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid?
The canonical SMILES for 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid is COc1ccc(SCC(=O)O)nn1.
What is the InChIKey of 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid?
The InChIKey is LYEOCEMPCQSTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-12-5-2-3-6(9-8-5)13-4-7(10)11/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid?
2-(6-methoxypyridazin-3-yl)sulfanylacetic acid has a molecular weight of 200.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyridazin-3-yl)sulfanylacetic acid is sourced from PubChem (CID 6418483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).