2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane

C9H16O2S2 — CID 583278

IUPAC2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane
SMILESC1CSC(CCC2OCCO2)SC1
InChIInChI=1S/C9H16O2S2/c1-6-12-9(13-7-1)3-2-8-10-4-5-11-8/h8-9H,1-7H2
InChIKeyFNUIPVRBHUAXPA-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.34
Rot. Bonds3

About 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane

2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane (PubChem CID 583278) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane
PubChem CID583278
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Name2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane
SMILESC1CSC(CCC2OCCO2)SC1
InChIInChI=1S/C9H16O2S2/c1-6-12-9(13-7-1)3-2-8-10-4-5-11-8/h8-9H,1-7H2
InChIKeyFNUIPVRBHUAXPA-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane (CID 583278) is 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane is C1CSC(CCC2OCCO2)SC1.
What is the InChIKey of 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane?
The InChIKey is FNUIPVRBHUAXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S2/c1-6-12-9(13-7-1)3-2-8-10-4-5-11-8/h8-9H,1-7H2.
What are the key properties of 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane?
2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane has a molecular weight of 220.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dithian-2-yl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 583278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).