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

C10H10N4S2 — CID 13337053

IUPAC5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile
SMILESCCSc1nc(C#N)c(C#N)nc1SCC
InChIInChI=1S/C10H10N4S2/c1-3-15-9-10(16-4-2)14-8(6-12)7(5-11)13-9/h3-4H2,1-2H3
InChIKeyQIGLXHNUDJRYSQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.44
Rot. Bonds4

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

5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile (PubChem CID 13337053) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile
PubChem CID13337053
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile
SMILESCCSc1nc(C#N)c(C#N)nc1SCC
InChIInChI=1S/C10H10N4S2/c1-3-15-9-10(16-4-2)14-8(6-12)7(5-11)13-9/h3-4H2,1-2H3
InChIKeyQIGLXHNUDJRYSQ-UHFFFAOYSA-N
XLogP2.44
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile (CID 13337053) is 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile is CCSc1nc(C#N)c(C#N)nc1SCC.
What is the InChIKey of 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile?
The InChIKey is QIGLXHNUDJRYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-3-15-9-10(16-4-2)14-8(6-12)7(5-11)13-9/h3-4H2,1-2H3.
What are the key properties of 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile?
5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile has a molecular weight of 250.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethylsulfanyl)pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 13337053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).