6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide

C5H8O2S — CID 86248405

IUPAC6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide
SMILESO=S1CC2(COC2)C1
InChIInChI=1S/C5H8O2S/c6-8-3-5(4-8)1-7-2-5/h1-4H2
InChIKeyJQOMOJUVQKELJO-UHFFFAOYSA-N
MW132.18 g/mol
LogP-0.23
Rot. Bonds

About 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide

6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide (PubChem CID 86248405) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide.

Molecular Properties

Compound Name6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide
PubChem CID86248405
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide
SMILESO=S1CC2(COC2)C1
InChIInChI=1S/C5H8O2S/c6-8-3-5(4-8)1-7-2-5/h1-4H2
InChIKeyJQOMOJUVQKELJO-UHFFFAOYSA-N
XLogP-0.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide?
The IUPAC name of 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide (CID 86248405) is 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide.
What is the SMILES notation for 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide?
The canonical SMILES for 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide is O=S1CC2(COC2)C1.
What is the InChIKey of 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide?
The InChIKey is JQOMOJUVQKELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c6-8-3-5(4-8)1-7-2-5/h1-4H2.
What are the key properties of 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide?
6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide has a molecular weight of 132.18 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2λ4-thiaspiro[3.3]heptane 2-oxide is sourced from PubChem (CID 86248405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).