2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C13H14O4S2 — CID 159334621

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1scc2c1OCCO2.c1scc2c1OCCO2
InChIInChI=1S/C7H8O2S.C6H6O2S/c1-5-7-6(4-10-5)8-2-3-9-7;1-2-8-6-4-9-3-5(6)7-1/h4H,2-3H2,1H3;3-4H,1-2H2
InChIKeyLFJIFXXLTOUGAR-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.35
Rot. Bonds

About 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 159334621) has the molecular formula C13H14O4S2 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID159334621
Molecular FormulaC13H14O4S2
Molecular Weight298.38 g/mol
Exact Mass298.03
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1scc2c1OCCO2.c1scc2c1OCCO2
InChIInChI=1S/C7H8O2S.C6H6O2S/c1-5-7-6(4-10-5)8-2-3-9-7;1-2-8-6-4-9-3-5(6)7-1/h4H,2-3H2,1H3;3-4H,1-2H2
InChIKeyLFJIFXXLTOUGAR-UHFFFAOYSA-N
XLogP3.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 159334621) is 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1scc2c1OCCO2.c1scc2c1OCCO2.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is LFJIFXXLTOUGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S.C6H6O2S/c1-5-7-6(4-10-5)8-2-3-9-7;1-2-8-6-4-9-3-5(6)7-1/h4H,2-3H2,1H3;3-4H,1-2H2.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 298.38 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxine;5-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 159334621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).