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

C7H10O3S — CID 66919465

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol
SMILESCO.c1scc2c1OCCO2
InChIInChI=1S/C6H6O2S.CH4O/c1-2-8-6-4-9-3-5(6)7-1;1-2/h3-4H,1-2H2;2H,1H3
InChIKeyRNKDSINEPGTVCL-UHFFFAOYSA-N
MW174.22 g/mol
LogP1.13
Rot. Bonds

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

2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol (PubChem CID 66919465) has the molecular formula C7H10O3S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol
PubChem CID66919465
Molecular FormulaC7H10O3S
Molecular Weight174.22 g/mol
Exact Mass174.04
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol
SMILESCO.c1scc2c1OCCO2
InChIInChI=1S/C6H6O2S.CH4O/c1-2-8-6-4-9-3-5(6)7-1;1-2/h3-4H,1-2H2;2H,1H3
InChIKeyRNKDSINEPGTVCL-UHFFFAOYSA-N
XLogP1.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol (CID 66919465) is 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol is CO.c1scc2c1OCCO2.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol?
The InChIKey is RNKDSINEPGTVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2S.CH4O/c1-2-8-6-4-9-3-5(6)7-1;1-2/h3-4H,1-2H2;2H,1H3.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol?
2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol has a molecular weight of 174.22 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxine;methanol is sourced from PubChem (CID 66919465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).