6,8-dioxa-3-thiabicyclo[3.2.1]octane

C5H8O2S — CID 534531

IUPAC6,8-dioxa-3-thiabicyclo[3.2.1]octane
SMILESC1OC2CSCC1O2
InChIInChI=1S/C5H8O2S/c1-4-2-8-3-5(6-1)7-4/h4-5H,1-3H2
InChIKeyUUONPLRQJYEGDF-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.47
Rot. Bonds

About 6,8-dioxa-3-thiabicyclo[3.2.1]octane

6,8-dioxa-3-thiabicyclo[3.2.1]octane (PubChem CID 534531) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 6,8-dioxa-3-thiabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6,8-dioxa-3-thiabicyclo[3.2.1]octane
PubChem CID534531
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name6,8-dioxa-3-thiabicyclo[3.2.1]octane
SMILESC1OC2CSCC1O2
InChIInChI=1S/C5H8O2S/c1-4-2-8-3-5(6-1)7-4/h4-5H,1-3H2
InChIKeyUUONPLRQJYEGDF-UHFFFAOYSA-N
XLogP0.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8-thiaspiro(4.5)decane
CID 12335978
1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-
CID 100927
(1R,5R)-4,5-dimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
CID 134892427
4-Methyl-5-athyl-6.8-dioxa-3-thia-bicyclo-[3.2.1]-octan
CID 129628576
5-Methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 536590
4a,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537487
1,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537873
5-Methyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538710
4beta,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538769
6,8-Dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CID 545541
4b-Methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 548286
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
CID 554057

Frequently Asked Questions

What is the IUPAC name of 6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The IUPAC name of 6,8-dioxa-3-thiabicyclo[3.2.1]octane (CID 534531) is 6,8-dioxa-3-thiabicyclo[3.2.1]octane.
What is the SMILES notation for 6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The canonical SMILES for 6,8-dioxa-3-thiabicyclo[3.2.1]octane is C1OC2CSCC1O2.
What is the InChIKey of 6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The InChIKey is UUONPLRQJYEGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-4-2-8-3-5(6-1)7-4/h4-5H,1-3H2.
What are the key properties of 6,8-dioxa-3-thiabicyclo[3.2.1]octane?
6,8-dioxa-3-thiabicyclo[3.2.1]octane has a molecular weight of 132.18 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dioxa-3-thiabicyclo[3.2.1]octane is sourced from PubChem (CID 534531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).