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

C14H10S5 — CID 69411648

IUPAC5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
SMILESc1csc(-c2sc(-c3cccs3)c3c2SCCS3)c1
InChIInChI=1S/C14H10S5/c1-3-9(15-5-1)11-13-14(18-8-7-17-13)12(19-11)10-4-2-6-16-10/h1-6H,7-8H2
InChIKeyGDXUKIQVBXICEE-UHFFFAOYSA-N
MW338.57 g/mol
LogP6.40
Rot. Bonds2

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

5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine (PubChem CID 69411648) has the molecular formula C14H10S5 and a molecular weight of 338.57 g/mol. Its IUPAC name is 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine.

Molecular Properties

Compound Name5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
PubChem CID69411648
Molecular FormulaC14H10S5
Molecular Weight338.57 g/mol
Exact Mass337.94
IUPAC Name5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
SMILESc1csc(-c2sc(-c3cccs3)c3c2SCCS3)c1
InChIInChI=1S/C14H10S5/c1-3-9(15-5-1)11-13-14(18-8-7-17-13)12(19-11)10-4-2-6-16-10/h1-6H,7-8H2
InChIKeyGDXUKIQVBXICEE-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.57
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
2,3-diphenyl-4,5-dithiophen-2-ylthiophene
CID 67533683
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
CID 130318353
4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine
CID 145426401
4,6-dithiophen-2-yl-1H-thieno[3,4-d]triazole
CID 100936204
2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
CID 122234024

Frequently Asked Questions

What is the IUPAC name of 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine?
The IUPAC name of 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine (CID 69411648) is 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine.
What is the SMILES notation for 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine?
The canonical SMILES for 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine is c1csc(-c2sc(-c3cccs3)c3c2SCCS3)c1.
What is the InChIKey of 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine?
The InChIKey is GDXUKIQVBXICEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10S5/c1-3-9(15-5-1)11-13-14(18-8-7-17-13)12(19-11)10-4-2-6-16-10/h1-6H,7-8H2.
What are the key properties of 5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine?
5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine has a molecular weight of 338.57 g/mol, XLogP of 6.40, 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]dithiine is sourced from PubChem (CID 69411648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).