5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile

C7H3ClN4S — CID 12873765

IUPAC5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile
SMILESCSc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C7H3ClN4S/c1-13-7-6(8)11-4(2-9)5(3-10)12-7/h1H3
InChIKeyDZFGARYLCXKITA-UHFFFAOYSA-N
MW210.65 g/mol
LogP1.60
Rot. Bonds1

About 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile

5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile (PubChem CID 12873765) has the molecular formula C7H3ClN4S and a molecular weight of 210.65 g/mol. Its IUPAC name is 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile
PubChem CID12873765
Molecular FormulaC7H3ClN4S
Molecular Weight210.65 g/mol
Exact Mass209.98
IUPAC Name5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile
SMILESCSc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C7H3ClN4S/c1-13-7-6(8)11-4(2-9)5(3-10)12-7/h1H3
InChIKeyDZFGARYLCXKITA-UHFFFAOYSA-N
XLogP1.60
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.65
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile (CID 12873765) is 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile is CSc1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile?
The InChIKey is DZFGARYLCXKITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4S/c1-13-7-6(8)11-4(2-9)5(3-10)12-7/h1H3.
What are the key properties of 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile?
5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile has a molecular weight of 210.65 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methylsulfanylpyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 12873765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).