4-pyrazin-2-ylsulfanylpentanoic acid

C9H12N2O2S — CID 63381120

IUPAC4-pyrazin-2-ylsulfanylpentanoic acid
SMILESCC(CCC(=O)O)Sc1cnccn1
InChIInChI=1S/C9H12N2O2S/c1-7(2-3-9(12)13)14-8-6-10-4-5-11-8/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyWVIDNESOGRDQEG-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.82
Rot. Bonds5

About 4-pyrazin-2-ylsulfanylpentanoic acid

4-pyrazin-2-ylsulfanylpentanoic acid (PubChem CID 63381120) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-pyrazin-2-ylsulfanylpentanoic acid.

Molecular Properties

Compound Name4-pyrazin-2-ylsulfanylpentanoic acid
PubChem CID63381120
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name4-pyrazin-2-ylsulfanylpentanoic acid
SMILESCC(CCC(=O)O)Sc1cnccn1
InChIInChI=1S/C9H12N2O2S/c1-7(2-3-9(12)13)14-8-6-10-4-5-11-8/h4-7H,2-3H2,1H3,(H,12,13)
InChIKeyWVIDNESOGRDQEG-UHFFFAOYSA-N
XLogP1.82
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-ylsulfanylpentanoic acid?
The IUPAC name of 4-pyrazin-2-ylsulfanylpentanoic acid (CID 63381120) is 4-pyrazin-2-ylsulfanylpentanoic acid.
What is the SMILES notation for 4-pyrazin-2-ylsulfanylpentanoic acid?
The canonical SMILES for 4-pyrazin-2-ylsulfanylpentanoic acid is CC(CCC(=O)O)Sc1cnccn1.
What is the InChIKey of 4-pyrazin-2-ylsulfanylpentanoic acid?
The InChIKey is WVIDNESOGRDQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-7(2-3-9(12)13)14-8-6-10-4-5-11-8/h4-7H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-pyrazin-2-ylsulfanylpentanoic acid?
4-pyrazin-2-ylsulfanylpentanoic acid has a molecular weight of 212.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-ylsulfanylpentanoic acid is sourced from PubChem (CID 63381120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).