thiophene-3,4-dicarbonyl chloride

C6H2Cl2O2S — CID 14932507

IUPACthiophene-3,4-dicarbonyl chloride
SMILESO=C(Cl)c1cscc1C(=O)Cl
InChIInChI=1S/C6H2Cl2O2S/c7-5(9)3-1-11-2-4(3)6(8)10/h1-2H
InChIKeyKJEBZMKZUKLTDO-UHFFFAOYSA-N
MW209.05 g/mol
LogP2.51
Rot. Bonds2

About thiophene-3,4-dicarbonyl chloride

thiophene-3,4-dicarbonyl chloride (PubChem CID 14932507) has the molecular formula C6H2Cl2O2S and a molecular weight of 209.05 g/mol. Its IUPAC name is thiophene-3,4-dicarbonyl chloride.

Molecular Properties

Compound Namethiophene-3,4-dicarbonyl chloride
PubChem CID14932507
Molecular FormulaC6H2Cl2O2S
Molecular Weight209.05 g/mol
Exact Mass207.92
IUPAC Namethiophene-3,4-dicarbonyl chloride
SMILESO=C(Cl)c1cscc1C(=O)Cl
InChIInChI=1S/C6H2Cl2O2S/c7-5(9)3-1-11-2-4(3)6(8)10/h1-2H
InChIKeyKJEBZMKZUKLTDO-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiophene-3,4-dicarbonyl chloride?
The IUPAC name of thiophene-3,4-dicarbonyl chloride (CID 14932507) is thiophene-3,4-dicarbonyl chloride.
What is the SMILES notation for thiophene-3,4-dicarbonyl chloride?
The canonical SMILES for thiophene-3,4-dicarbonyl chloride is O=C(Cl)c1cscc1C(=O)Cl.
What is the InChIKey of thiophene-3,4-dicarbonyl chloride?
The InChIKey is KJEBZMKZUKLTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2O2S/c7-5(9)3-1-11-2-4(3)6(8)10/h1-2H.
What are the key properties of thiophene-3,4-dicarbonyl chloride?
thiophene-3,4-dicarbonyl chloride has a molecular weight of 209.05 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3,4-dicarbonyl chloride is sourced from PubChem (CID 14932507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).