2-(5-methylsulfanylpyrazin-2-yl)oxyethanol

C7H10N2O2S — CID 118625730

IUPAC2-(5-methylsulfanylpyrazin-2-yl)oxyethanol
SMILESCSc1cnc(OCCO)cn1
InChIInChI=1S/C7H10N2O2S/c1-12-7-5-8-6(4-9-7)11-3-2-10/h4-5,10H,2-3H2,1H3
InChIKeyATPIKDLPKUZPOQ-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.57
Rot. Bonds4

About 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol

2-(5-methylsulfanylpyrazin-2-yl)oxyethanol (PubChem CID 118625730) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol.

Molecular Properties

Compound Name2-(5-methylsulfanylpyrazin-2-yl)oxyethanol
PubChem CID118625730
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(5-methylsulfanylpyrazin-2-yl)oxyethanol
SMILESCSc1cnc(OCCO)cn1
InChIInChI=1S/C7H10N2O2S/c1-12-7-5-8-6(4-9-7)11-3-2-10/h4-5,10H,2-3H2,1H3
InChIKeyATPIKDLPKUZPOQ-UHFFFAOYSA-N
XLogP0.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol?
The IUPAC name of 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol (CID 118625730) is 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol.
What is the SMILES notation for 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol?
The canonical SMILES for 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol is CSc1cnc(OCCO)cn1.
What is the InChIKey of 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol?
The InChIKey is ATPIKDLPKUZPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-12-7-5-8-6(4-9-7)11-3-2-10/h4-5,10H,2-3H2,1H3.
What are the key properties of 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol?
2-(5-methylsulfanylpyrazin-2-yl)oxyethanol has a molecular weight of 186.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanylpyrazin-2-yl)oxyethanol is sourced from PubChem (CID 118625730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).