5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene

C16H14S4 — CID 15252875

IUPAC5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene
SMILESCc1csc2c(C)c(-c3sc4c(C)csc4c3C)sc12
InChIInChI=1S/C16H14S4/c1-7-5-17-13-9(3)15(19-11(7)13)16-10(4)14-12(20-16)8(2)6-18-14/h5-6H,1-4H3
InChIKeyADFLXZOIFSAEPU-UHFFFAOYSA-N
MW334.56 g/mol
LogP7.14
Rot. Bonds1

About 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene

5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene (PubChem CID 15252875) has the molecular formula C16H14S4 and a molecular weight of 334.56 g/mol. Its IUPAC name is 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene
PubChem CID15252875
Molecular FormulaC16H14S4
Molecular Weight334.56 g/mol
Exact Mass334.00
IUPAC Name5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene
SMILESCc1csc2c(C)c(-c3sc4c(C)csc4c3C)sc12
InChIInChI=1S/C16H14S4/c1-7-5-17-13-9(3)15(19-11(7)13)16-10(4)14-12(20-16)8(2)6-18-14/h5-6H,1-4H3
InChIKeyADFLXZOIFSAEPU-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.56
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene?
The IUPAC name of 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene (CID 15252875) is 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene.
What is the SMILES notation for 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene?
The canonical SMILES for 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene is Cc1csc2c(C)c(-c3sc4c(C)csc4c3C)sc12.
What is the InChIKey of 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene?
The InChIKey is ADFLXZOIFSAEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S4/c1-7-5-17-13-9(3)15(19-11(7)13)16-10(4)14-12(20-16)8(2)6-18-14/h5-6H,1-4H3.
What are the key properties of 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene?
5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene has a molecular weight of 334.56 g/mol, XLogP of 7.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dimethylthieno[3,2-b]thiophen-5-yl)-3,6-dimethylthieno[3,2-b]thiophene is sourced from PubChem (CID 15252875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).