2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine

C20H12N2S4 — CID 59488709

IUPAC2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
SMILESc1csc(-c2ccc(-c3cncc(-c4ccc(-c5cccs5)s4)n3)s2)c1
InChIInChI=1S/C20H12N2S4/c1-3-17(23-9-1)19-7-5-15(25-19)13-11-21-12-14(22-13)16-6-8-20(26-16)18-4-2-10-24-18/h1-12H
InChIKeyWLBVQWFXWIRVPN-UHFFFAOYSA-N
MW408.60 g/mol
LogP7.39
Rot. Bonds4

About 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine

2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine (PubChem CID 59488709) has the molecular formula C20H12N2S4 and a molecular weight of 408.60 g/mol. Its IUPAC name is 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine.

Molecular Properties

Compound Name2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
PubChem CID59488709
Molecular FormulaC20H12N2S4
Molecular Weight408.60 g/mol
Exact Mass407.99
IUPAC Name2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
SMILESc1csc(-c2ccc(-c3cncc(-c4ccc(-c5cccs5)s4)n3)s2)c1
InChIInChI=1S/C20H12N2S4/c1-3-17(23-9-1)19-7-5-15(25-19)13-11-21-12-14(22-13)16-6-8-20(26-16)18-4-2-10-24-18/h1-12H
InChIKeyWLBVQWFXWIRVPN-UHFFFAOYSA-N
XLogP7.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.60
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-3-[6-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine
CID 15426250
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine
CID 2739891
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
2-thiophen-2-ylpyrido[3,4-b]pyrazine
CID 19063766
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine?
The IUPAC name of 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine (CID 59488709) is 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine.
What is the SMILES notation for 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine?
The canonical SMILES for 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine is c1csc(-c2ccc(-c3cncc(-c4ccc(-c5cccs5)s4)n3)s2)c1.
What is the InChIKey of 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine?
The InChIKey is WLBVQWFXWIRVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2S4/c1-3-17(23-9-1)19-7-5-15(25-19)13-11-21-12-14(22-13)16-6-8-20(26-16)18-4-2-10-24-18/h1-12H.
What are the key properties of 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine?
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine has a molecular weight of 408.60 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine is sourced from PubChem (CID 59488709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).