2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine

C28H24N6S4 — CID 139049389

IUPAC2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine
SMILESc1ccc(SCc2nc(CSc3ccccn3)c(CSc3ccccn3)nc2CSc2ccccn2)nc1
InChIInChI=1S/C28H24N6S4/c1-5-13-29-25(9-1)35-17-21-22(18-36-26-10-2-6-14-30-26)34-24(20-38-28-12-4-8-16-32-28)23(33-21)19-37-27-11-3-7-15-31-27/h1-16H,17-20H2
InChIKeyAIOLMIAPWFSDBP-UHFFFAOYSA-N
MW572.81 g/mol
LogP7.23
Rot. Bonds12

About 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine

2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine (PubChem CID 139049389) has the molecular formula C28H24N6S4 and a molecular weight of 572.81 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine
PubChem CID139049389
Molecular FormulaC28H24N6S4
Molecular Weight572.81 g/mol
Exact Mass572.09
IUPAC Name2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine
SMILESc1ccc(SCc2nc(CSc3ccccn3)c(CSc3ccccn3)nc2CSc2ccccn2)nc1
InChIInChI=1S/C28H24N6S4/c1-5-13-29-25(9-1)35-17-21-22(18-36-26-10-2-6-14-30-26)34-24(20-38-28-12-4-8-16-32-28)23(33-21)19-37-27-11-3-7-15-31-27/h1-16H,17-20H2
InChIKeyAIOLMIAPWFSDBP-UHFFFAOYSA-N
XLogP7.23
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.81
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine?
The IUPAC name of 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine (CID 139049389) is 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine is c1ccc(SCc2nc(CSc3ccccn3)c(CSc3ccccn3)nc2CSc2ccccn2)nc1.
What is the InChIKey of 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine?
The InChIKey is AIOLMIAPWFSDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6S4/c1-5-13-29-25(9-1)35-17-21-22(18-36-26-10-2-6-14-30-26)34-24(20-38-28-12-4-8-16-32-28)23(33-21)19-37-27-11-3-7-15-31-27/h1-16H,17-20H2.
What are the key properties of 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine?
2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine has a molecular weight of 572.81 g/mol, XLogP of 7.23, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(pyridin-2-ylsulfanylmethyl)pyrazine is sourced from PubChem (CID 139049389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).