4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole

C12H6N2S4 — CID 130318353

IUPAC4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
SMILESc1csc(-c2sc(-c3cccs3)c3snnc23)c1
InChIInChI=1S/C12H6N2S4/c1-3-7(15-5-1)10-9-12(18-14-13-9)11(17-10)8-4-2-6-16-8/h1-6H
InChIKeyYBVDMHFUSUOUPH-UHFFFAOYSA-N
MW306.46 g/mol
LogP5.21
Rot. Bonds2

About 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole

4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole (PubChem CID 130318353) has the molecular formula C12H6N2S4 and a molecular weight of 306.46 g/mol. Its IUPAC name is 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole.

Molecular Properties

Compound Name4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
PubChem CID130318353
Molecular FormulaC12H6N2S4
Molecular Weight306.46 g/mol
Exact Mass305.94
IUPAC Name4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole
SMILESc1csc(-c2sc(-c3cccs3)c3snnc23)c1
InChIInChI=1S/C12H6N2S4/c1-3-7(15-5-1)10-9-12(18-14-13-9)11(17-10)8-4-2-6-16-8/h1-6H
InChIKeyYBVDMHFUSUOUPH-UHFFFAOYSA-N
XLogP5.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole?
The IUPAC name of 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole (CID 130318353) is 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole.
What is the SMILES notation for 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole?
The canonical SMILES for 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole is c1csc(-c2sc(-c3cccs3)c3snnc23)c1.
What is the InChIKey of 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole?
The InChIKey is YBVDMHFUSUOUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2S4/c1-3-7(15-5-1)10-9-12(18-14-13-9)11(17-10)8-4-2-6-16-8/h1-6H.
What are the key properties of 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole?
4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole has a molecular weight of 306.46 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dithiophen-2-ylthieno[3,4-d]thiadiazole is sourced from PubChem (CID 130318353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).