2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid

C12H10N2O2S — CID 64927782

IUPAC2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(Sc2cccnn2)cc1
InChIInChI=1S/C12H10N2O2S/c15-12(16)8-9-3-5-10(6-4-9)17-11-2-1-7-13-14-11/h1-7H,8H2,(H,15,16)
InChIKeyLPSCQZKLETUTGC-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.25
Rot. Bonds4

About 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid

2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid (PubChem CID 64927782) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid
PubChem CID64927782
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid
SMILESO=C(O)Cc1ccc(Sc2cccnn2)cc1
InChIInChI=1S/C12H10N2O2S/c15-12(16)8-9-3-5-10(6-4-9)17-11-2-1-7-13-14-11/h1-7H,8H2,(H,15,16)
InChIKeyLPSCQZKLETUTGC-UHFFFAOYSA-N
XLogP2.25
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid?
The IUPAC name of 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid (CID 64927782) is 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid.
What is the SMILES notation for 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid?
The canonical SMILES for 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid is O=C(O)Cc1ccc(Sc2cccnn2)cc1.
What is the InChIKey of 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid?
The InChIKey is LPSCQZKLETUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-12(16)8-9-3-5-10(6-4-9)17-11-2-1-7-13-14-11/h1-7H,8H2,(H,15,16).
What are the key properties of 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid?
2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid has a molecular weight of 246.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridazin-3-ylsulfanylphenyl)acetic acid is sourced from PubChem (CID 64927782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).