2-methoxythiophene-3-sulfonyl chloride

C5H5ClO3S2 — CID 18769960

IUPAC2-methoxythiophene-3-sulfonyl chloride
SMILESCOc1sccc1S(=O)(=O)Cl
InChIInChI=1S/C5H5ClO3S2/c1-9-5-4(2-3-10-5)11(6,7)8/h2-3H,1H3
InChIKeyYZFAOZAIGURUPT-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.68
Rot. Bonds2

About 2-methoxythiophene-3-sulfonyl chloride

2-methoxythiophene-3-sulfonyl chloride (PubChem CID 18769960) has the molecular formula C5H5ClO3S2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-methoxythiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxythiophene-3-sulfonyl chloride
PubChem CID18769960
Molecular FormulaC5H5ClO3S2
Molecular Weight212.68 g/mol
Exact Mass211.94
IUPAC Name2-methoxythiophene-3-sulfonyl chloride
SMILESCOc1sccc1S(=O)(=O)Cl
InChIInChI=1S/C5H5ClO3S2/c1-9-5-4(2-3-10-5)11(6,7)8/h2-3H,1H3
InChIKeyYZFAOZAIGURUPT-UHFFFAOYSA-N
XLogP1.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxythiophene-3-sulfonyl chloride?
The IUPAC name of 2-methoxythiophene-3-sulfonyl chloride (CID 18769960) is 2-methoxythiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methoxythiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methoxythiophene-3-sulfonyl chloride is COc1sccc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxythiophene-3-sulfonyl chloride?
The InChIKey is YZFAOZAIGURUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO3S2/c1-9-5-4(2-3-10-5)11(6,7)8/h2-3H,1H3.
What are the key properties of 2-methoxythiophene-3-sulfonyl chloride?
2-methoxythiophene-3-sulfonyl chloride has a molecular weight of 212.68 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxythiophene-3-sulfonyl chloride is sourced from PubChem (CID 18769960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).