4-ethyl-2-methoxythiophene-3-sulfonyl chloride

C7H9ClO3S2 — CID 23443453

IUPAC4-ethyl-2-methoxythiophene-3-sulfonyl chloride
SMILESCCc1csc(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClO3S2/c1-3-5-4-12-7(11-2)6(5)13(8,9)10/h4H,3H2,1-2H3
InChIKeyMECUADQNFWANMS-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.25
Rot. Bonds3

About 4-ethyl-2-methoxythiophene-3-sulfonyl chloride

4-ethyl-2-methoxythiophene-3-sulfonyl chloride (PubChem CID 23443453) has the molecular formula C7H9ClO3S2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-ethyl-2-methoxythiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name4-ethyl-2-methoxythiophene-3-sulfonyl chloride
PubChem CID23443453
Molecular FormulaC7H9ClO3S2
Molecular Weight240.73 g/mol
Exact Mass239.97
IUPAC Name4-ethyl-2-methoxythiophene-3-sulfonyl chloride
SMILESCCc1csc(OC)c1S(=O)(=O)Cl
InChIInChI=1S/C7H9ClO3S2/c1-3-5-4-12-7(11-2)6(5)13(8,9)10/h4H,3H2,1-2H3
InChIKeyMECUADQNFWANMS-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methoxythiophene-3-sulfonyl chloride?
The IUPAC name of 4-ethyl-2-methoxythiophene-3-sulfonyl chloride (CID 23443453) is 4-ethyl-2-methoxythiophene-3-sulfonyl chloride.
What is the SMILES notation for 4-ethyl-2-methoxythiophene-3-sulfonyl chloride?
The canonical SMILES for 4-ethyl-2-methoxythiophene-3-sulfonyl chloride is CCc1csc(OC)c1S(=O)(=O)Cl.
What is the InChIKey of 4-ethyl-2-methoxythiophene-3-sulfonyl chloride?
The InChIKey is MECUADQNFWANMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO3S2/c1-3-5-4-12-7(11-2)6(5)13(8,9)10/h4H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methoxythiophene-3-sulfonyl chloride?
4-ethyl-2-methoxythiophene-3-sulfonyl chloride has a molecular weight of 240.73 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methoxythiophene-3-sulfonyl chloride is sourced from PubChem (CID 23443453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).