2-oxa-6-thiaspiro[3.4]octane

C6H10OS — CID 118210159

IUPAC2-oxa-6-thiaspiro[3.4]octane
SMILESC1CC2(COC2)CS1
InChIInChI=1S/C6H10OS/c1-2-8-5-6(1)3-7-4-6/h1-5H2
InChIKeyXGARLABUENPITO-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.14
Rot. Bonds

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

2-oxa-6-thiaspiro[3.4]octane (PubChem CID 118210159) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-oxa-6-thiaspiro[3.4]octane.

Molecular Properties

Compound Name2-oxa-6-thiaspiro[3.4]octane
PubChem CID118210159
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-oxa-6-thiaspiro[3.4]octane
SMILESC1CC2(COC2)CS1
InChIInChI=1S/C6H10OS/c1-2-8-5-6(1)3-7-4-6/h1-5H2
InChIKeyXGARLABUENPITO-UHFFFAOYSA-N
XLogP1.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-6-thiaspiro[3.4]octane?
The IUPAC name of 2-oxa-6-thiaspiro[3.4]octane (CID 118210159) is 2-oxa-6-thiaspiro[3.4]octane.
What is the SMILES notation for 2-oxa-6-thiaspiro[3.4]octane?
The canonical SMILES for 2-oxa-6-thiaspiro[3.4]octane is C1CC2(COC2)CS1.
What is the InChIKey of 2-oxa-6-thiaspiro[3.4]octane?
The InChIKey is XGARLABUENPITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-8-5-6(1)3-7-4-6/h1-5H2.
What are the key properties of 2-oxa-6-thiaspiro[3.4]octane?
2-oxa-6-thiaspiro[3.4]octane has a molecular weight of 130.21 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-6-thiaspiro[3.4]octane is sourced from PubChem (CID 118210159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).