5-pyridin-3-ylthiophene-2-sulfinate

C9H6NO2S2- — CID 70086435

IUPAC5-pyridin-3-ylthiophene-2-sulfinate
SMILESO=S([O-])c1ccc(-c2cccnc2)s1
InChIInChI=1S/C9H7NO2S2/c11-14(12)9-4-3-8(13-9)7-2-1-5-10-6-7/h1-6H,(H,11,12)/p-1
InChIKeyMVLIRAJSMWLFPG-UHFFFAOYSA-M
MW224.29 g/mol
LogP2.05
Rot. Bonds2

About 5-pyridin-3-ylthiophene-2-sulfinate

5-pyridin-3-ylthiophene-2-sulfinate (PubChem CID 70086435) has the molecular formula C9H6NO2S2- and a molecular weight of 224.29 g/mol. Its IUPAC name is 5-pyridin-3-ylthiophene-2-sulfinate.

Molecular Properties

Compound Name5-pyridin-3-ylthiophene-2-sulfinate
PubChem CID70086435
Molecular FormulaC9H6NO2S2-
Molecular Weight224.29 g/mol
Exact Mass223.98
IUPAC Name5-pyridin-3-ylthiophene-2-sulfinate
SMILESO=S([O-])c1ccc(-c2cccnc2)s1
InChIInChI=1S/C9H7NO2S2/c11-14(12)9-4-3-8(13-9)7-2-1-5-10-6-7/h1-6H,(H,11,12)/p-1
InChIKeyMVLIRAJSMWLFPG-UHFFFAOYSA-M
XLogP2.05
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylthiophene-2-sulfinate?
The IUPAC name of 5-pyridin-3-ylthiophene-2-sulfinate (CID 70086435) is 5-pyridin-3-ylthiophene-2-sulfinate.
What is the SMILES notation for 5-pyridin-3-ylthiophene-2-sulfinate?
The canonical SMILES for 5-pyridin-3-ylthiophene-2-sulfinate is O=S([O-])c1ccc(-c2cccnc2)s1.
What is the InChIKey of 5-pyridin-3-ylthiophene-2-sulfinate?
The InChIKey is MVLIRAJSMWLFPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7NO2S2/c11-14(12)9-4-3-8(13-9)7-2-1-5-10-6-7/h1-6H,(H,11,12)/p-1.
What are the key properties of 5-pyridin-3-ylthiophene-2-sulfinate?
5-pyridin-3-ylthiophene-2-sulfinate has a molecular weight of 224.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylthiophene-2-sulfinate is sourced from PubChem (CID 70086435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).