6-ethylsulfanylpyrazine-2-carboxylic acid

C7H8N2O2S — CID 818289

IUPAC6-ethylsulfanylpyrazine-2-carboxylic acid
SMILESCCSc1cncc(C(=O)O)n1
InChIInChI=1S/C7H8N2O2S/c1-2-12-6-4-8-3-5(9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyFRMBIAOUEAWTMH-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.29
Rot. Bonds3

About 6-ethylsulfanylpyrazine-2-carboxylic acid

6-ethylsulfanylpyrazine-2-carboxylic acid (PubChem CID 818289) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 6-ethylsulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethylsulfanylpyrazine-2-carboxylic acid
PubChem CID818289
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name6-ethylsulfanylpyrazine-2-carboxylic acid
SMILESCCSc1cncc(C(=O)O)n1
InChIInChI=1S/C7H8N2O2S/c1-2-12-6-4-8-3-5(9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyFRMBIAOUEAWTMH-UHFFFAOYSA-N
XLogP1.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 6-ethylsulfanylpyrazine-2-carboxylic acid (CID 818289) is 6-ethylsulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 6-ethylsulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 6-ethylsulfanylpyrazine-2-carboxylic acid is CCSc1cncc(C(=O)O)n1.
What is the InChIKey of 6-ethylsulfanylpyrazine-2-carboxylic acid?
The InChIKey is FRMBIAOUEAWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-2-12-6-4-8-3-5(9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 6-ethylsulfanylpyrazine-2-carboxylic acid?
6-ethylsulfanylpyrazine-2-carboxylic acid has a molecular weight of 184.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 818289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).