4-phenyl-2,3-dihydrothiophene 1,1-dioxide

C10H10O2S — CID 12661232

IUPAC4-phenyl-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(c2ccccc2)CC1
InChIInChI=1S/C10H10O2S/c11-13(12)7-6-10(8-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyOYADUSJXUNXFQD-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.85
Rot. Bonds1

About 4-phenyl-2,3-dihydrothiophene 1,1-dioxide

4-phenyl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 12661232) has the molecular formula C10H10O2S and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-phenyl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-phenyl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID12661232
Molecular FormulaC10H10O2S
Molecular Weight194.26 g/mol
Exact Mass194.04
IUPAC Name4-phenyl-2,3-dihydrothiophene 1,1-dioxide
SMILESO=S1(=O)C=C(c2ccccc2)CC1
InChIInChI=1S/C10H10O2S/c11-13(12)7-6-10(8-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyOYADUSJXUNXFQD-UHFFFAOYSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 4-phenyl-2,3-dihydrothiophene 1,1-dioxide (CID 12661232) is 4-phenyl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 4-phenyl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 4-phenyl-2,3-dihydrothiophene 1,1-dioxide is O=S1(=O)C=C(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is OYADUSJXUNXFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c11-13(12)7-6-10(8-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 4-phenyl-2,3-dihydrothiophene 1,1-dioxide?
4-phenyl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 194.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 12661232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).