methyl 5-pyridin-2-ylthiophene-2-sulfinate

C10H9NO2S2 — CID 170209502

IUPACmethyl 5-pyridin-2-ylthiophene-2-sulfinate
SMILESCOS(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C10H9NO2S2/c1-13-15(12)10-6-5-9(14-10)8-4-2-3-7-11-8/h2-7H,1H3
InChIKeyJBMSDPBJRARULI-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.48
Rot. Bonds3

About methyl 5-pyridin-2-ylthiophene-2-sulfinate

methyl 5-pyridin-2-ylthiophene-2-sulfinate (PubChem CID 170209502) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 5-pyridin-2-ylthiophene-2-sulfinate.

Molecular Properties

Compound Namemethyl 5-pyridin-2-ylthiophene-2-sulfinate
PubChem CID170209502
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Namemethyl 5-pyridin-2-ylthiophene-2-sulfinate
SMILESCOS(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C10H9NO2S2/c1-13-15(12)10-6-5-9(14-10)8-4-2-3-7-11-8/h2-7H,1H3
InChIKeyJBMSDPBJRARULI-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-pyridin-2-ylthiophene-2-sulfinate?
The IUPAC name of methyl 5-pyridin-2-ylthiophene-2-sulfinate (CID 170209502) is methyl 5-pyridin-2-ylthiophene-2-sulfinate.
What is the SMILES notation for methyl 5-pyridin-2-ylthiophene-2-sulfinate?
The canonical SMILES for methyl 5-pyridin-2-ylthiophene-2-sulfinate is COS(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of methyl 5-pyridin-2-ylthiophene-2-sulfinate?
The InChIKey is JBMSDPBJRARULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c1-13-15(12)10-6-5-9(14-10)8-4-2-3-7-11-8/h2-7H,1H3.
What are the key properties of methyl 5-pyridin-2-ylthiophene-2-sulfinate?
methyl 5-pyridin-2-ylthiophene-2-sulfinate has a molecular weight of 239.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-pyridin-2-ylthiophene-2-sulfinate is sourced from PubChem (CID 170209502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).