2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide

C6H10O2S — CID 118609093

IUPAC2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide
SMILESO=S1CCC2(COC2)C1
InChIInChI=1S/C6H10O2S/c7-9-2-1-6(5-9)3-8-4-6/h1-5H2
InChIKeyFDTOHNSYPACSBR-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.16
Rot. Bonds

About 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide

2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide (PubChem CID 118609093) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide.

Molecular Properties

Compound Name2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide
PubChem CID118609093
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide
SMILESO=S1CCC2(COC2)C1
InChIInChI=1S/C6H10O2S/c7-9-2-1-6(5-9)3-8-4-6/h1-5H2
InChIKeyFDTOHNSYPACSBR-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide?
The IUPAC name of 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide (CID 118609093) is 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide.
What is the SMILES notation for 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide?
The canonical SMILES for 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide is O=S1CCC2(COC2)C1.
What is the InChIKey of 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide?
The InChIKey is FDTOHNSYPACSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c7-9-2-1-6(5-9)3-8-4-6/h1-5H2.
What are the key properties of 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide?
2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide has a molecular weight of 146.21 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6λ4-thiaspiro[3.4]octane 6-oxide is sourced from PubChem (CID 118609093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).