2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine

C28H20N2S4 — CID 19937826

IUPAC2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
SMILESC(=C/c1nc(/C=C/c2cccs2)c(/C=C/c2cccs2)nc1/C=C/c1cccs1)\c1cccs1
InChIInChI=1S/C28H20N2S4/c1-5-21(31-17-1)9-13-25-26(14-10-22-6-2-18-32-22)30-28(16-12-24-8-4-20-34-24)27(29-25)15-11-23-7-3-19-33-23/h1-20H/b13-9+,14-10+,15-11+,16-12+
InChIKeyWFYSMXDVVXEEBF-KUWVSJDVSA-N
MW512.75 g/mol
LogP9.40
Rot. Bonds8

About 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine

2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine (PubChem CID 19937826) has the molecular formula C28H20N2S4 and a molecular weight of 512.75 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
PubChem CID19937826
Molecular FormulaC28H20N2S4
Molecular Weight512.75 g/mol
Exact Mass512.05
IUPAC Name2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
SMILESC(=C/c1nc(/C=C/c2cccs2)c(/C=C/c2cccs2)nc1/C=C/c1cccs1)\c1cccs1
InChIInChI=1S/C28H20N2S4/c1-5-21(31-17-1)9-13-25-26(14-10-22-6-2-18-32-22)30-28(16-12-24-8-4-20-34-24)27(29-25)15-11-23-7-3-19-33-23/h1-20H/b13-9+,14-10+,15-11+,16-12+
InChIKeyWFYSMXDVVXEEBF-KUWVSJDVSA-N
XLogP9.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.75
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177
(E)-2-thiophen-2-ylethenol
CID 89297537
CID 11426392
CID 11426392
3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
CID 67415906
5-methyl-3-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-amine
CID 16771109
5-bromo-3-methyl-2-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 102207232
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
2-[(E)-2-(4-fluorophenyl)ethenyl]thiophene
CID 101247141
dichloro-methyl-(2-thiophen-2-ylethenyl)silane
CID 131873611
5-(2-thiophen-2-ylethenyl)thiophene-2-carbaldehyde
CID 71357746

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine (CID 19937826) is 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine is C(=C/c1nc(/C=C/c2cccs2)c(/C=C/c2cccs2)nc1/C=C/c1cccs1)\c1cccs1.
What is the InChIKey of 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine?
The InChIKey is WFYSMXDVVXEEBF-KUWVSJDVSA-N. The full InChI is InChI=1S/C28H20N2S4/c1-5-21(31-17-1)9-13-25-26(14-10-22-6-2-18-32-22)30-28(16-12-24-8-4-20-34-24)27(29-25)15-11-23-7-3-19-33-23/h1-20H/b13-9+,14-10+,15-11+,16-12+.
What are the key properties of 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine?
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine has a molecular weight of 512.75 g/mol, XLogP of 9.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine is sourced from PubChem (CID 19937826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).