2,5-dimethyl-3-methylsulfanylpyrazine

C7H10N2S — CID 11658321

IUPAC2,5-dimethyl-3-methylsulfanylpyrazine
SMILESCSc1nc(C)cnc1C
InChIInChI=1S/C7H10N2S/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3
InChIKeyVXFGCYJQMUSZGI-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.82
Rot. Bonds1

About 2,5-dimethyl-3-methylsulfanylpyrazine

2,5-dimethyl-3-methylsulfanylpyrazine (PubChem CID 11658321) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2,5-dimethyl-3-methylsulfanylpyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-methylsulfanylpyrazine
PubChem CID11658321
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2,5-dimethyl-3-methylsulfanylpyrazine
SMILESCSc1nc(C)cnc1C
InChIInChI=1S/C7H10N2S/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3
InChIKeyVXFGCYJQMUSZGI-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-methylsulfanylpyrazine?
The IUPAC name of 2,5-dimethyl-3-methylsulfanylpyrazine (CID 11658321) is 2,5-dimethyl-3-methylsulfanylpyrazine.
What is the SMILES notation for 2,5-dimethyl-3-methylsulfanylpyrazine?
The canonical SMILES for 2,5-dimethyl-3-methylsulfanylpyrazine is CSc1nc(C)cnc1C.
What is the InChIKey of 2,5-dimethyl-3-methylsulfanylpyrazine?
The InChIKey is VXFGCYJQMUSZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-5-4-8-6(2)7(9-5)10-3/h4H,1-3H3.
What are the key properties of 2,5-dimethyl-3-methylsulfanylpyrazine?
2,5-dimethyl-3-methylsulfanylpyrazine has a molecular weight of 154.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-methylsulfanylpyrazine is sourced from PubChem (CID 11658321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).