2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide

C6H10O2S — CID 118609050

IUPAC2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide
SMILESO=S1CCCC12COC2
InChIInChI=1S/C6H10O2S/c7-9-3-1-2-6(9)4-8-5-6/h1-5H2
InChIKeyXUWVKHTVNQBNRW-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.30
Rot. Bonds

About 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide

2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide (PubChem CID 118609050) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide.

Molecular Properties

Compound Name2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide
PubChem CID118609050
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide
SMILESO=S1CCCC12COC2
InChIInChI=1S/C6H10O2S/c7-9-3-1-2-6(9)4-8-5-6/h1-5H2
InChIKeyXUWVKHTVNQBNRW-UHFFFAOYSA-N
XLogP0.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide?
The IUPAC name of 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide (CID 118609050) is 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide.
What is the SMILES notation for 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide?
The canonical SMILES for 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide is O=S1CCCC12COC2.
What is the InChIKey of 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide?
The InChIKey is XUWVKHTVNQBNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c7-9-3-1-2-6(9)4-8-5-6/h1-5H2.
What are the key properties of 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide?
2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide has a molecular weight of 146.21 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5λ4-thiaspiro[3.4]octane 5-oxide is sourced from PubChem (CID 118609050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).