2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane

C13H12O2S2 — CID 19780491

IUPAC2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane
SMILESc1ccc(Sc2ccsc2C2OCCO2)cc1
InChIInChI=1S/C13H12O2S2/c1-2-4-10(5-3-1)17-11-6-9-16-12(11)13-14-7-8-15-13/h1-6,9,13H,7-8H2
InChIKeyBVIUYGTXODDEKV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.94
Rot. Bonds3

About 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane

2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane (PubChem CID 19780491) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane
PubChem CID19780491
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Name2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane
SMILESc1ccc(Sc2ccsc2C2OCCO2)cc1
InChIInChI=1S/C13H12O2S2/c1-2-4-10(5-3-1)17-11-6-9-16-12(11)13-14-7-8-15-13/h1-6,9,13H,7-8H2
InChIKeyBVIUYGTXODDEKV-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane (CID 19780491) is 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane is c1ccc(Sc2ccsc2C2OCCO2)cc1.
What is the InChIKey of 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane?
The InChIKey is BVIUYGTXODDEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S2/c1-2-4-10(5-3-1)17-11-6-9-16-12(11)13-14-7-8-15-13/h1-6,9,13H,7-8H2.
What are the key properties of 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane?
2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane has a molecular weight of 264.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylsulfanylthiophen-2-yl)-1,3-dioxolane is sourced from PubChem (CID 19780491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).