5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile

C8H6N4S2 — CID 13337052

IUPAC5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile
SMILESCSc1nc(C#N)c(C#N)nc1SC
InChIInChI=1S/C8H6N4S2/c1-13-7-8(14-2)12-6(4-10)5(3-9)11-7/h1-2H3
InChIKeyGLIBCTLPMPVABC-UHFFFAOYSA-N
MW222.30 g/mol
LogP1.66
Rot. Bonds2

About 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile

5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile (PubChem CID 13337052) has the molecular formula C8H6N4S2 and a molecular weight of 222.30 g/mol. Its IUPAC name is 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile
PubChem CID13337052
Molecular FormulaC8H6N4S2
Molecular Weight222.30 g/mol
Exact Mass222.00
IUPAC Name5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile
SMILESCSc1nc(C#N)c(C#N)nc1SC
InChIInChI=1S/C8H6N4S2/c1-13-7-8(14-2)12-6(4-10)5(3-9)11-7/h1-2H3
InChIKeyGLIBCTLPMPVABC-UHFFFAOYSA-N
XLogP1.66
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile (CID 13337052) is 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile is CSc1nc(C#N)c(C#N)nc1SC.
What is the InChIKey of 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile?
The InChIKey is GLIBCTLPMPVABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4S2/c1-13-7-8(14-2)12-6(4-10)5(3-9)11-7/h1-2H3.
What are the key properties of 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile?
5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile has a molecular weight of 222.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(methylsulfanyl)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 13337052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).