5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C18H14O4S5 — CID 101382608

IUPAC5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1sc(-c2sc(-c3scc4c3OCCO4)c3c2SCCS3)c2c1OCCO2
InChIInChI=1S/C18H14O4S5/c1-3-21-11-9(19-1)7-25-13(11)17-15-16(24-6-5-23-15)18(27-17)14-12-10(8-26-14)20-2-4-22-12/h7-8H,1-6H2
InChIKeyHYRFLSWYVAICTD-UHFFFAOYSA-N
MW454.64 g/mol
LogP5.95
Rot. Bonds2

About 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 101382608) has the molecular formula C18H14O4S5 and a molecular weight of 454.64 g/mol. Its IUPAC name is 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID101382608
Molecular FormulaC18H14O4S5
Molecular Weight454.64 g/mol
Exact Mass453.95
IUPAC Name5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1sc(-c2sc(-c3scc4c3OCCO4)c3c2SCCS3)c2c1OCCO2
InChIInChI=1S/C18H14O4S5/c1-3-21-11-9(19-1)7-25-13(11)17-15-16(24-6-5-23-15)18(27-17)14-12-10(8-26-14)20-2-4-22-12/h7-8H,1-6H2
InChIKeyHYRFLSWYVAICTD-UHFFFAOYSA-N
XLogP5.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 101382608) is 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1sc(-c2sc(-c3scc4c3OCCO4)c3c2SCCS3)c2c1OCCO2.
What is the InChIKey of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is HYRFLSWYVAICTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4S5/c1-3-21-11-9(19-1)7-25-13(11)17-15-16(24-6-5-23-15)18(27-17)14-12-10(8-26-14)20-2-4-22-12/h7-8H,1-6H2.
What are the key properties of 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 454.64 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dithiin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 101382608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).