2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane

C16H16O2S — CID 15417317

IUPAC2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane
SMILESc1ccc(SCC2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C16H16O2S/c1-3-7-14(8-4-1)16(17-11-12-18-16)13-19-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyXHTGVGRSARYNOU-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.68
Rot. Bonds4

About 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane

2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane (PubChem CID 15417317) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane
PubChem CID15417317
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Name2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane
SMILESc1ccc(SCC2(c3ccccc3)OCCO2)cc1
InChIInChI=1S/C16H16O2S/c1-3-7-14(8-4-1)16(17-11-12-18-16)13-19-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyXHTGVGRSARYNOU-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane?
The IUPAC name of 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane (CID 15417317) is 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane.
What is the SMILES notation for 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane?
The canonical SMILES for 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane is c1ccc(SCC2(c3ccccc3)OCCO2)cc1.
What is the InChIKey of 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane?
The InChIKey is XHTGVGRSARYNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-3-7-14(8-4-1)16(17-11-12-18-16)13-19-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane?
2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane has a molecular weight of 272.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(phenylsulfanylmethyl)-1,3-dioxolane is sourced from PubChem (CID 15417317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).