2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine

C9H12N2OS — CID 163812157

IUPAC2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine
SMILESC=C(C)COc1cnc(SC)cn1
InChIInChI=1S/C9H12N2OS/c1-7(2)6-12-8-4-11-9(13-3)5-10-8/h4-5H,1,6H2,2-3H3
InChIKeyNOFNMMAKMUBDSY-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.15
Rot. Bonds4

About 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine

2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine (PubChem CID 163812157) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine
PubChem CID163812157
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine
SMILESC=C(C)COc1cnc(SC)cn1
InChIInChI=1S/C9H12N2OS/c1-7(2)6-12-8-4-11-9(13-3)5-10-8/h4-5H,1,6H2,2-3H3
InChIKeyNOFNMMAKMUBDSY-UHFFFAOYSA-N
XLogP2.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine (CID 163812157) is 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine is C=C(C)COc1cnc(SC)cn1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine?
The InChIKey is NOFNMMAKMUBDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7(2)6-12-8-4-11-9(13-3)5-10-8/h4-5H,1,6H2,2-3H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine?
2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine has a molecular weight of 196.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-5-methylsulfanylpyrazine is sourced from PubChem (CID 163812157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).