2-methoxy-2,5-dihydrothiophene 1,1-dioxide

C5H8O3S — CID 91031158

IUPAC2-methoxy-2,5-dihydrothiophene 1,1-dioxide
SMILESCOC1C=CCS1(=O)=O
InChIInChI=1S/C5H8O3S/c1-8-5-3-2-4-9(5,6)7/h2-3,5H,4H2,1H3
InChIKeyNVOQCQBESRNSTP-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.06
Rot. Bonds1

About 2-methoxy-2,5-dihydrothiophene 1,1-dioxide

2-methoxy-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 91031158) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-methoxy-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name2-methoxy-2,5-dihydrothiophene 1,1-dioxide
PubChem CID91031158
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name2-methoxy-2,5-dihydrothiophene 1,1-dioxide
SMILESCOC1C=CCS1(=O)=O
InChIInChI=1S/C5H8O3S/c1-8-5-3-2-4-9(5,6)7/h2-3,5H,4H2,1H3
InChIKeyNVOQCQBESRNSTP-UHFFFAOYSA-N
XLogP-0.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 2-methoxy-2,5-dihydrothiophene 1,1-dioxide (CID 91031158) is 2-methoxy-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 2-methoxy-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 2-methoxy-2,5-dihydrothiophene 1,1-dioxide is COC1C=CCS1(=O)=O.
What is the InChIKey of 2-methoxy-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is NVOQCQBESRNSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c1-8-5-3-2-4-9(5,6)7/h2-3,5H,4H2,1H3.
What are the key properties of 2-methoxy-2,5-dihydrothiophene 1,1-dioxide?
2-methoxy-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 148.18 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 91031158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).