5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C14H10O2S3 — CID 59489445

IUPAC5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1csc(-c2sc(-c3cccs3)c3c2OCCO3)c1
InChIInChI=1S/C14H10O2S3/c1-3-9(17-7-1)13-11-12(16-6-5-15-11)14(19-13)10-4-2-8-18-10/h1-4,7-8H,5-6H2
InChIKeyPGEFOYCABFETGN-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.98
Rot. Bonds2

About 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine

5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 59489445) has the molecular formula C14H10O2S3 and a molecular weight of 306.43 g/mol. Its IUPAC name is 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID59489445
Molecular FormulaC14H10O2S3
Molecular Weight306.43 g/mol
Exact Mass305.98
IUPAC Name5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESc1csc(-c2sc(-c3cccs3)c3c2OCCO3)c1
InChIInChI=1S/C14H10O2S3/c1-3-9(17-7-1)13-11-12(16-6-5-15-11)14(19-13)10-4-2-8-18-10/h1-4,7-8H,5-6H2
InChIKeyPGEFOYCABFETGN-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 59489445) is 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine is c1csc(-c2sc(-c3cccs3)c3c2OCCO3)c1.
What is the InChIKey of 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is PGEFOYCABFETGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O2S3/c1-3-9(17-7-1)13-11-12(16-6-5-15-11)14(19-13)10-4-2-8-18-10/h1-4,7-8H,5-6H2.
What are the key properties of 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 306.43 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 59489445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).