2-(1-methoxyethoxymethylsulfonyl)thiophene

C8H12O4S2 — CID 20721876

IUPAC2-(1-methoxyethoxymethylsulfonyl)thiophene
SMILESCOC(C)OCS(=O)(=O)c1cccs1
InChIInChI=1S/C8H12O4S2/c1-7(11-2)12-6-14(9,10)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3
InChIKeyZYBXJAKKILKPRN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.49
Rot. Bonds5

About 2-(1-methoxyethoxymethylsulfonyl)thiophene

2-(1-methoxyethoxymethylsulfonyl)thiophene (PubChem CID 20721876) has the molecular formula C8H12O4S2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-methoxyethoxymethylsulfonyl)thiophene.

Molecular Properties

Compound Name2-(1-methoxyethoxymethylsulfonyl)thiophene
PubChem CID20721876
Molecular FormulaC8H12O4S2
Molecular Weight236.31 g/mol
Exact Mass236.02
IUPAC Name2-(1-methoxyethoxymethylsulfonyl)thiophene
SMILESCOC(C)OCS(=O)(=O)c1cccs1
InChIInChI=1S/C8H12O4S2/c1-7(11-2)12-6-14(9,10)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3
InChIKeyZYBXJAKKILKPRN-UHFFFAOYSA-N
XLogP1.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethoxymethylsulfonyl)thiophene?
The IUPAC name of 2-(1-methoxyethoxymethylsulfonyl)thiophene (CID 20721876) is 2-(1-methoxyethoxymethylsulfonyl)thiophene.
What is the SMILES notation for 2-(1-methoxyethoxymethylsulfonyl)thiophene?
The canonical SMILES for 2-(1-methoxyethoxymethylsulfonyl)thiophene is COC(C)OCS(=O)(=O)c1cccs1.
What is the InChIKey of 2-(1-methoxyethoxymethylsulfonyl)thiophene?
The InChIKey is ZYBXJAKKILKPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4S2/c1-7(11-2)12-6-14(9,10)8-4-3-5-13-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(1-methoxyethoxymethylsulfonyl)thiophene?
2-(1-methoxyethoxymethylsulfonyl)thiophene has a molecular weight of 236.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethoxymethylsulfonyl)thiophene is sourced from PubChem (CID 20721876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).