3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide

C5H8O3S — CID 141410100

IUPAC3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide
SMILESO=S1CC2OCOC2C1
InChIInChI=1S/C5H8O3S/c6-9-1-4-5(2-9)8-3-7-4/h4-5H,1-3H2
InChIKeyPVXXYWKRMZUWLF-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.51
Rot. Bonds

About 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide

3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide (PubChem CID 141410100) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide.

Molecular Properties

Compound Name3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide
PubChem CID141410100
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide
SMILESO=S1CC2OCOC2C1
InChIInChI=1S/C5H8O3S/c6-9-1-4-5(2-9)8-3-7-4/h4-5H,1-3H2
InChIKeyPVXXYWKRMZUWLF-UHFFFAOYSA-N
XLogP-0.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide?
The IUPAC name of 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide (CID 141410100) is 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide.
What is the SMILES notation for 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide?
The canonical SMILES for 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide is O=S1CC2OCOC2C1.
What is the InChIKey of 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide?
The InChIKey is PVXXYWKRMZUWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c6-9-1-4-5(2-9)8-3-7-4/h4-5H,1-3H2.
What are the key properties of 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide?
3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide has a molecular weight of 148.18 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide is sourced from PubChem (CID 141410100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).