2-ethoxy-3-methylsulfanylpyrazine

C7H10N2OS — CID 146382820

IUPAC2-ethoxy-3-methylsulfanylpyrazine
SMILESCCOc1nccnc1SC
InChIInChI=1S/C7H10N2OS/c1-3-10-6-7(11-2)9-5-4-8-6/h4-5H,3H2,1-2H3
InChIKeyZNWBZZUIEJMHQH-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.60
Rot. Bonds3

About 2-ethoxy-3-methylsulfanylpyrazine

2-ethoxy-3-methylsulfanylpyrazine (PubChem CID 146382820) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-ethoxy-3-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-ethoxy-3-methylsulfanylpyrazine
PubChem CID146382820
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-ethoxy-3-methylsulfanylpyrazine
SMILESCCOc1nccnc1SC
InChIInChI=1S/C7H10N2OS/c1-3-10-6-7(11-2)9-5-4-8-6/h4-5H,3H2,1-2H3
InChIKeyZNWBZZUIEJMHQH-UHFFFAOYSA-N
XLogP1.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methylsulfanylpyrazine?
The IUPAC name of 2-ethoxy-3-methylsulfanylpyrazine (CID 146382820) is 2-ethoxy-3-methylsulfanylpyrazine.
What is the SMILES notation for 2-ethoxy-3-methylsulfanylpyrazine?
The canonical SMILES for 2-ethoxy-3-methylsulfanylpyrazine is CCOc1nccnc1SC.
What is the InChIKey of 2-ethoxy-3-methylsulfanylpyrazine?
The InChIKey is ZNWBZZUIEJMHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-3-10-6-7(11-2)9-5-4-8-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-3-methylsulfanylpyrazine?
2-ethoxy-3-methylsulfanylpyrazine has a molecular weight of 170.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methylsulfanylpyrazine is sourced from PubChem (CID 146382820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).