5-(1,3-dioxolan-2-yl)-1,3-oxathiolane

C6H10O3S — CID 129192037

IUPAC5-(1,3-dioxolan-2-yl)-1,3-oxathiolane
SMILESC1COC(C2CSCO2)O1
InChIInChI=1S/C6H10O3S/c1-2-8-6(7-1)5-3-10-4-9-5/h5-6H,1-4H2
InChIKeyJVLMIHQWNFJNBH-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.45
Rot. Bonds1

About 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane

5-(1,3-dioxolan-2-yl)-1,3-oxathiolane (PubChem CID 129192037) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane.

Molecular Properties

Compound Name5-(1,3-dioxolan-2-yl)-1,3-oxathiolane
PubChem CID129192037
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name5-(1,3-dioxolan-2-yl)-1,3-oxathiolane
SMILESC1COC(C2CSCO2)O1
InChIInChI=1S/C6H10O3S/c1-2-8-6(7-1)5-3-10-4-9-5/h5-6H,1-4H2
InChIKeyJVLMIHQWNFJNBH-UHFFFAOYSA-N
XLogP0.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane?
The IUPAC name of 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane (CID 129192037) is 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane.
What is the SMILES notation for 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane?
The canonical SMILES for 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane is C1COC(C2CSCO2)O1.
What is the InChIKey of 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane?
The InChIKey is JVLMIHQWNFJNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-2-8-6(7-1)5-3-10-4-9-5/h5-6H,1-4H2.
What are the key properties of 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane?
5-(1,3-dioxolan-2-yl)-1,3-oxathiolane has a molecular weight of 162.21 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxolan-2-yl)-1,3-oxathiolane is sourced from PubChem (CID 129192037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).