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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Related Compounds

(Phenylthio)acetic acid, phenylmethyl ester
CID 533037
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
benzyl 2-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylsulfanyl]acetate
CID 11369948
2,3,5-tri-O-benzyl-1,4-dideoxy-1,4-epithio-D-arabinitol
CID 10645810
2,2-Diphenyl-1,3-oxathiolane
CID 11096799
(2R,3S)-2-(2-Fluorophenyl)-3-(phenylthio)tetrahydro-2H-pyran
CID 85090299
(4Z)-4-benzylidene-5-phenyl-2-thiophen-2-yl-2-(trifluoromethyl)-1,3-dioxolane
CID 139242346
2-Phenyl-2-{1,1,2-trifluoro-2-[(p-tolyl)sulfanyl]ethyl}-1,3-dioxolane
CID 172052528
1,2-Bis(phenylmethoxy)-3-phenylthiopropane
CID 4573537
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
2-(2-phenylethyl)-4H-3,1-benzoxathiine
CID 85763510

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).