1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide

C8H16O5S2 — CID 88780023

IUPAC1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide
SMILESC=C.O=S1(=O)CCCC1.O=S1OCCO1
InChIInChI=1S/C4H8O2S.C2H4O3S.C2H4/c5-7(6)3-1-2-4-7;3-6-4-1-2-5-6;1-2/h1-4H2;1-2H2;1-2H2
InChIKeyJJVUDVVUXNXLSD-UHFFFAOYSA-N
MW256.34 g/mol
LogP0.61
Rot. Bonds

About 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide

1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide (PubChem CID 88780023) has the molecular formula C8H16O5S2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide.

Molecular Properties

Compound Name1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide
PubChem CID88780023
Molecular FormulaC8H16O5S2
Molecular Weight256.34 g/mol
Exact Mass256.04
IUPAC Name1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide
SMILESC=C.O=S1(=O)CCCC1.O=S1OCCO1
InChIInChI=1S/C4H8O2S.C2H4O3S.C2H4/c5-7(6)3-1-2-4-7;3-6-4-1-2-5-6;1-2/h1-4H2;1-2H2;1-2H2
InChIKeyJJVUDVVUXNXLSD-UHFFFAOYSA-N
XLogP0.61
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide?
The IUPAC name of 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide (CID 88780023) is 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide.
What is the SMILES notation for 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide?
The canonical SMILES for 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide is C=C.O=S1(=O)CCCC1.O=S1OCCO1.
What is the InChIKey of 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide?
The InChIKey is JJVUDVVUXNXLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S.C2H4O3S.C2H4/c5-7(6)3-1-2-4-7;3-6-4-1-2-5-6;1-2/h1-4H2;1-2H2;1-2H2.
What are the key properties of 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide?
1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide has a molecular weight of 256.34 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxathiolane 2-oxide;ethene;thiolane 1,1-dioxide is sourced from PubChem (CID 88780023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).