pyridazin-3-yl methanesulfinate

C5H6N2O2S — CID 59940021

IUPACpyridazin-3-yl methanesulfinate
SMILESCS(=O)Oc1cccnn1
InChIInChI=1S/C5H6N2O2S/c1-10(8)9-5-3-2-4-6-7-5/h2-4H,1H3
InChIKeyKRRLAHRGFPRNAC-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.15
Rot. Bonds2

About pyridazin-3-yl methanesulfinate

pyridazin-3-yl methanesulfinate (PubChem CID 59940021) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is pyridazin-3-yl methanesulfinate.

Molecular Properties

Compound Namepyridazin-3-yl methanesulfinate
PubChem CID59940021
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC Namepyridazin-3-yl methanesulfinate
SMILESCS(=O)Oc1cccnn1
InChIInChI=1S/C5H6N2O2S/c1-10(8)9-5-3-2-4-6-7-5/h2-4H,1H3
InChIKeyKRRLAHRGFPRNAC-UHFFFAOYSA-N
XLogP0.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridazin-3-yl methanesulfinate?
The IUPAC name of pyridazin-3-yl methanesulfinate (CID 59940021) is pyridazin-3-yl methanesulfinate.
What is the SMILES notation for pyridazin-3-yl methanesulfinate?
The canonical SMILES for pyridazin-3-yl methanesulfinate is CS(=O)Oc1cccnn1.
What is the InChIKey of pyridazin-3-yl methanesulfinate?
The InChIKey is KRRLAHRGFPRNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-10(8)9-5-3-2-4-6-7-5/h2-4H,1H3.
What are the key properties of pyridazin-3-yl methanesulfinate?
pyridazin-3-yl methanesulfinate has a molecular weight of 158.18 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridazin-3-yl methanesulfinate is sourced from PubChem (CID 59940021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).