8-oxa-1,2-dithiaspiro[2.5]octane

C5H8OS2 — CID 142744258

IUPAC8-oxa-1,2-dithiaspiro[2.5]octane
SMILESC1CCC2(OC1)SS2
InChIInChI=1S/C5H8OS2/c1-2-4-6-5(3-1)7-8-5/h1-4H2
InChIKeyRUNXZBJGZBBIQG-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.24
Rot. Bonds

About 8-oxa-1,2-dithiaspiro[2.5]octane

8-oxa-1,2-dithiaspiro[2.5]octane (PubChem CID 142744258) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 8-oxa-1,2-dithiaspiro[2.5]octane.

Molecular Properties

Compound Name8-oxa-1,2-dithiaspiro[2.5]octane
PubChem CID142744258
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name8-oxa-1,2-dithiaspiro[2.5]octane
SMILESC1CCC2(OC1)SS2
InChIInChI=1S/C5H8OS2/c1-2-4-6-5(3-1)7-8-5/h1-4H2
InChIKeyRUNXZBJGZBBIQG-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-1,2-dithiaspiro[2.5]octane?
The IUPAC name of 8-oxa-1,2-dithiaspiro[2.5]octane (CID 142744258) is 8-oxa-1,2-dithiaspiro[2.5]octane.
What is the SMILES notation for 8-oxa-1,2-dithiaspiro[2.5]octane?
The canonical SMILES for 8-oxa-1,2-dithiaspiro[2.5]octane is C1CCC2(OC1)SS2.
What is the InChIKey of 8-oxa-1,2-dithiaspiro[2.5]octane?
The InChIKey is RUNXZBJGZBBIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c1-2-4-6-5(3-1)7-8-5/h1-4H2.
What are the key properties of 8-oxa-1,2-dithiaspiro[2.5]octane?
8-oxa-1,2-dithiaspiro[2.5]octane has a molecular weight of 148.25 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-1,2-dithiaspiro[2.5]octane is sourced from PubChem (CID 142744258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).