2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine

C8H10O3S — CID 58807327

IUPAC2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine
SMILESc1scc2c1OCCOCCO2
InChIInChI=1S/C8H10O3S/c1-3-10-7-5-12-6-8(7)11-4-2-9-1/h5-6H,1-4H2
InChIKeyTVELHPABJYRNDL-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.54
Rot. Bonds

About 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine

2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine (PubChem CID 58807327) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine.

Molecular Properties

Compound Name2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine
PubChem CID58807327
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine
SMILESc1scc2c1OCCOCCO2
InChIInChI=1S/C8H10O3S/c1-3-10-7-5-12-6-8(7)11-4-2-9-1/h5-6H,1-4H2
InChIKeyTVELHPABJYRNDL-UHFFFAOYSA-N
XLogP1.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine?
The IUPAC name of 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine (CID 58807327) is 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine.
What is the SMILES notation for 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine?
The canonical SMILES for 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine is c1scc2c1OCCOCCO2.
What is the InChIKey of 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine?
The InChIKey is TVELHPABJYRNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-3-10-7-5-12-6-8(7)11-4-2-9-1/h5-6H,1-4H2.
What are the key properties of 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine?
2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine has a molecular weight of 186.23 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydrothieno[3,4-b][1,4,7]trioxonine is sourced from PubChem (CID 58807327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).