2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide

C6H10O2S — CID 24839

IUPAC2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCC1=CC(C)S(=O)(=O)C1
InChIInChI=1S/C6H10O2S/c1-5-3-6(2)9(7,8)4-5/h3,6H,4H2,1-2H3
InChIKeyGVVBJZATNQKABB-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.75
Rot. Bonds

About 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide

2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 24839) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
PubChem CID24839
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide
SMILESCC1=CC(C)S(=O)(=O)C1
InChIInChI=1S/C6H10O2S/c1-5-3-6(2)9(7,8)4-5/h3,6H,4H2,1-2H3
InChIKeyGVVBJZATNQKABB-UHFFFAOYSA-N
XLogP0.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide (CID 24839) is 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide is CC1=CC(C)S(=O)(=O)C1.
What is the InChIKey of 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is GVVBJZATNQKABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-5-3-6(2)9(7,8)4-5/h3,6H,4H2,1-2H3.
What are the key properties of 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide?
2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 146.21 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 24839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).