6-methylsulfanylpyrazine-2-carboxylic acid

C6H6N2O2S — CID 66451366

IUPAC6-methylsulfanylpyrazine-2-carboxylic acid
SMILESCSc1cncc(C(=O)O)n1
InChIInChI=1S/C6H6N2O2S/c1-11-5-3-7-2-4(8-5)6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyJPUVCZOVGLSZCJ-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.90
Rot. Bonds2

About 6-methylsulfanylpyrazine-2-carboxylic acid

6-methylsulfanylpyrazine-2-carboxylic acid (PubChem CID 66451366) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 6-methylsulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-methylsulfanylpyrazine-2-carboxylic acid
PubChem CID66451366
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name6-methylsulfanylpyrazine-2-carboxylic acid
SMILESCSc1cncc(C(=O)O)n1
InChIInChI=1S/C6H6N2O2S/c1-11-5-3-7-2-4(8-5)6(9)10/h2-3H,1H3,(H,9,10)
InChIKeyJPUVCZOVGLSZCJ-UHFFFAOYSA-N
XLogP0.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 6-methylsulfanylpyrazine-2-carboxylic acid (CID 66451366) is 6-methylsulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-methylsulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-methylsulfanylpyrazine-2-carboxylic acid is CSc1cncc(C(=O)O)n1.
What is the InChIKey of 6-methylsulfanylpyrazine-2-carboxylic acid?
The InChIKey is JPUVCZOVGLSZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c1-11-5-3-7-2-4(8-5)6(9)10/h2-3H,1H3,(H,9,10).
What are the key properties of 6-methylsulfanylpyrazine-2-carboxylic acid?
6-methylsulfanylpyrazine-2-carboxylic acid has a molecular weight of 170.19 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 66451366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).