8-oxa-2-thiabicyclo[3.2.1]octane

C6H10OS — CID 91583386

IUPAC8-oxa-2-thiabicyclo[3.2.1]octane
SMILESC1CC2CCC(O2)S1
InChIInChI=1S/C6H10OS/c1-2-6-7-5(1)3-4-8-6/h5-6H,1-4H2
InChIKeyTZVYVBZMMPTHMM-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.63
Rot. Bonds

About 8-oxa-2-thiabicyclo[3.2.1]octane

8-oxa-2-thiabicyclo[3.2.1]octane (PubChem CID 91583386) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 8-oxa-2-thiabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-oxa-2-thiabicyclo[3.2.1]octane
PubChem CID91583386
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name8-oxa-2-thiabicyclo[3.2.1]octane
SMILESC1CC2CCC(O2)S1
InChIInChI=1S/C6H10OS/c1-2-6-7-5(1)3-4-8-6/h5-6H,1-4H2
InChIKeyTZVYVBZMMPTHMM-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-thiabicyclo[3.2.1]octane?
The IUPAC name of 8-oxa-2-thiabicyclo[3.2.1]octane (CID 91583386) is 8-oxa-2-thiabicyclo[3.2.1]octane.
What is the SMILES notation for 8-oxa-2-thiabicyclo[3.2.1]octane?
The canonical SMILES for 8-oxa-2-thiabicyclo[3.2.1]octane is C1CC2CCC(O2)S1.
What is the InChIKey of 8-oxa-2-thiabicyclo[3.2.1]octane?
The InChIKey is TZVYVBZMMPTHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-6-7-5(1)3-4-8-6/h5-6H,1-4H2.
What are the key properties of 8-oxa-2-thiabicyclo[3.2.1]octane?
8-oxa-2-thiabicyclo[3.2.1]octane has a molecular weight of 130.21 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-thiabicyclo[3.2.1]octane is sourced from PubChem (CID 91583386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).