2-ethylsulfanyl-3-methylpyrazine

C7H10N2S — CID 528121

IUPAC2-ethylsulfanyl-3-methylpyrazine
SMILESCCSc1nccnc1C
InChIInChI=1S/C7H10N2S/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
InChIKeyXBRLIFADEKBXIB-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.90
Rot. Bonds2

About 2-ethylsulfanyl-3-methylpyrazine

2-ethylsulfanyl-3-methylpyrazine (PubChem CID 528121) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-methylpyrazine.

Molecular Properties

Compound Name2-ethylsulfanyl-3-methylpyrazine
PubChem CID528121
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-ethylsulfanyl-3-methylpyrazine
SMILESCCSc1nccnc1C
InChIInChI=1S/C7H10N2S/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
InChIKeyXBRLIFADEKBXIB-UHFFFAOYSA-N
XLogP1.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-methylpyrazine?
The IUPAC name of 2-ethylsulfanyl-3-methylpyrazine (CID 528121) is 2-ethylsulfanyl-3-methylpyrazine.
What is the SMILES notation for 2-ethylsulfanyl-3-methylpyrazine?
The canonical SMILES for 2-ethylsulfanyl-3-methylpyrazine is CCSc1nccnc1C.
What is the InChIKey of 2-ethylsulfanyl-3-methylpyrazine?
The InChIKey is XBRLIFADEKBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-3-methylpyrazine?
2-ethylsulfanyl-3-methylpyrazine has a molecular weight of 154.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-methylpyrazine is sourced from PubChem (CID 528121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).