methyl thiophene-2-sulfinate

C5H6O2S2 — CID 54238508

IUPACmethyl thiophene-2-sulfinate
SMILESCOS(=O)c1cccs1
InChIInChI=1S/C5H6O2S2/c1-7-9(6)5-3-2-4-8-5/h2-4H,1H3
InChIKeyQOHLEXPTCVVODW-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.42
Rot. Bonds2

About methyl thiophene-2-sulfinate

methyl thiophene-2-sulfinate (PubChem CID 54238508) has the molecular formula C5H6O2S2 and a molecular weight of 162.23 g/mol. Its IUPAC name is methyl thiophene-2-sulfinate.

Molecular Properties

Compound Namemethyl thiophene-2-sulfinate
PubChem CID54238508
Molecular FormulaC5H6O2S2
Molecular Weight162.23 g/mol
Exact Mass161.98
IUPAC Namemethyl thiophene-2-sulfinate
SMILESCOS(=O)c1cccs1
InChIInChI=1S/C5H6O2S2/c1-7-9(6)5-3-2-4-8-5/h2-4H,1H3
InChIKeyQOHLEXPTCVVODW-UHFFFAOYSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl thiophene-2-sulfinate?
The IUPAC name of methyl thiophene-2-sulfinate (CID 54238508) is methyl thiophene-2-sulfinate.
What is the SMILES notation for methyl thiophene-2-sulfinate?
The canonical SMILES for methyl thiophene-2-sulfinate is COS(=O)c1cccs1.
What is the InChIKey of methyl thiophene-2-sulfinate?
The InChIKey is QOHLEXPTCVVODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S2/c1-7-9(6)5-3-2-4-8-5/h2-4H,1H3.
What are the key properties of methyl thiophene-2-sulfinate?
methyl thiophene-2-sulfinate has a molecular weight of 162.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thiophene-2-sulfinate is sourced from PubChem (CID 54238508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).