2,5-bis(dithiophen-2-ylmethylidene)thiophene

C22H14S5 — CID 14983198

IUPAC2,5-bis(dithiophen-2-ylmethylidene)thiophene
SMILESc1csc(C(c2cccs2)=c2ccc(=C(c3cccs3)c3cccs3)s2)c1
InChIInChI=1S/C22H14S5/c1-5-15(23-11-1)21(16-6-2-12-24-16)19-9-10-20(27-19)22(17-7-3-13-25-17)18-8-4-14-26-18/h1-14H
InChIKeyXYUOKAITFKOTMO-UHFFFAOYSA-N
MW438.69 g/mol
LogP6.49
Rot. Bonds4

About 2,5-bis(dithiophen-2-ylmethylidene)thiophene

2,5-bis(dithiophen-2-ylmethylidene)thiophene (PubChem CID 14983198) has the molecular formula C22H14S5 and a molecular weight of 438.69 g/mol. Its IUPAC name is 2,5-bis(dithiophen-2-ylmethylidene)thiophene.

Molecular Properties

Compound Name2,5-bis(dithiophen-2-ylmethylidene)thiophene
PubChem CID14983198
Molecular FormulaC22H14S5
Molecular Weight438.69 g/mol
Exact Mass437.97
IUPAC Name2,5-bis(dithiophen-2-ylmethylidene)thiophene
SMILESc1csc(C(c2cccs2)=c2ccc(=C(c3cccs3)c3cccs3)s2)c1
InChIInChI=1S/C22H14S5/c1-5-15(23-11-1)21(16-6-2-12-24-16)19-9-10-20(27-19)22(17-7-3-13-25-17)18-8-4-14-26-18/h1-14H
InChIKeyXYUOKAITFKOTMO-UHFFFAOYSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.69
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(dithiophen-2-ylmethylidene)thiophene?
The IUPAC name of 2,5-bis(dithiophen-2-ylmethylidene)thiophene (CID 14983198) is 2,5-bis(dithiophen-2-ylmethylidene)thiophene.
What is the SMILES notation for 2,5-bis(dithiophen-2-ylmethylidene)thiophene?
The canonical SMILES for 2,5-bis(dithiophen-2-ylmethylidene)thiophene is c1csc(C(c2cccs2)=c2ccc(=C(c3cccs3)c3cccs3)s2)c1.
What is the InChIKey of 2,5-bis(dithiophen-2-ylmethylidene)thiophene?
The InChIKey is XYUOKAITFKOTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14S5/c1-5-15(23-11-1)21(16-6-2-12-24-16)19-9-10-20(27-19)22(17-7-3-13-25-17)18-8-4-14-26-18/h1-14H.
What are the key properties of 2,5-bis(dithiophen-2-ylmethylidene)thiophene?
2,5-bis(dithiophen-2-ylmethylidene)thiophene has a molecular weight of 438.69 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(dithiophen-2-ylmethylidene)thiophene is sourced from PubChem (CID 14983198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).