3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide

C11H12O2S — CID 15269792

IUPAC3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCc1ccc(C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C11H12O2S/c1-9-2-4-10(5-3-9)11-6-7-14(12,13)8-11/h2-7,11H,8H2,1H3
InChIKeyQAFCTBMFTKLAQO-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.02
Rot. Bonds1

About 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide

3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 15269792) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID15269792
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCc1ccc(C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C11H12O2S/c1-9-2-4-10(5-3-9)11-6-7-14(12,13)8-11/h2-7,11H,8H2,1H3
InChIKeyQAFCTBMFTKLAQO-UHFFFAOYSA-N
XLogP2.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide (CID 15269792) is 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide is Cc1ccc(C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is QAFCTBMFTKLAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-9-2-4-10(5-3-9)11-6-7-14(12,13)8-11/h2-7,11H,8H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide?
3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 208.28 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 15269792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).