2-(2-methoxyethoxy)-5-methylsulfanylpyrazine

C8H12N2O2S — CID 137474680

IUPAC2-(2-methoxyethoxy)-5-methylsulfanylpyrazine
SMILESCOCCOc1cnc(SC)cn1
InChIInChI=1S/C8H12N2O2S/c1-11-3-4-12-7-5-10-8(13-2)6-9-7/h5-6H,3-4H2,1-2H3
InChIKeySGFFQQSJMCZOKC-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.22
Rot. Bonds5

About 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine

2-(2-methoxyethoxy)-5-methylsulfanylpyrazine (PubChem CID 137474680) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-5-methylsulfanylpyrazine
PubChem CID137474680
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(2-methoxyethoxy)-5-methylsulfanylpyrazine
SMILESCOCCOc1cnc(SC)cn1
InChIInChI=1S/C8H12N2O2S/c1-11-3-4-12-7-5-10-8(13-2)6-9-7/h5-6H,3-4H2,1-2H3
InChIKeySGFFQQSJMCZOKC-UHFFFAOYSA-N
XLogP1.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine?
The IUPAC name of 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine (CID 137474680) is 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine.
What is the SMILES notation for 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine?
The canonical SMILES for 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine is COCCOc1cnc(SC)cn1.
What is the InChIKey of 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine?
The InChIKey is SGFFQQSJMCZOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-11-3-4-12-7-5-10-8(13-2)6-9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine?
2-(2-methoxyethoxy)-5-methylsulfanylpyrazine has a molecular weight of 200.26 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-5-methylsulfanylpyrazine is sourced from PubChem (CID 137474680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).