4-ethoxythiophene-3-sulfonyl chloride

C6H7ClO3S2 — CID 18769987

IUPAC4-ethoxythiophene-3-sulfonyl chloride
SMILESCCOc1cscc1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClO3S2/c1-2-10-5-3-11-4-6(5)12(7,8)9/h3-4H,2H2,1H3
InChIKeyDPZSEPFTXKKUFS-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.07
Rot. Bonds3

About 4-ethoxythiophene-3-sulfonyl chloride

4-ethoxythiophene-3-sulfonyl chloride (PubChem CID 18769987) has the molecular formula C6H7ClO3S2 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-ethoxythiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name4-ethoxythiophene-3-sulfonyl chloride
PubChem CID18769987
Molecular FormulaC6H7ClO3S2
Molecular Weight226.71 g/mol
Exact Mass225.95
IUPAC Name4-ethoxythiophene-3-sulfonyl chloride
SMILESCCOc1cscc1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClO3S2/c1-2-10-5-3-11-4-6(5)12(7,8)9/h3-4H,2H2,1H3
InChIKeyDPZSEPFTXKKUFS-UHFFFAOYSA-N
XLogP2.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxythiophene-3-sulfonyl chloride?
The IUPAC name of 4-ethoxythiophene-3-sulfonyl chloride (CID 18769987) is 4-ethoxythiophene-3-sulfonyl chloride.
What is the SMILES notation for 4-ethoxythiophene-3-sulfonyl chloride?
The canonical SMILES for 4-ethoxythiophene-3-sulfonyl chloride is CCOc1cscc1S(=O)(=O)Cl.
What is the InChIKey of 4-ethoxythiophene-3-sulfonyl chloride?
The InChIKey is DPZSEPFTXKKUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO3S2/c1-2-10-5-3-11-4-6(5)12(7,8)9/h3-4H,2H2,1H3.
What are the key properties of 4-ethoxythiophene-3-sulfonyl chloride?
4-ethoxythiophene-3-sulfonyl chloride has a molecular weight of 226.71 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxythiophene-3-sulfonyl chloride is sourced from PubChem (CID 18769987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).