2-prop-2-enylsulfanylpyrazine

C7H8N2S — CID 3025899

IUPAC2-prop-2-enylsulfanylpyrazine
SMILESC=CCSc1cnccn1
InChIInChI=1S/C7H8N2S/c1-2-5-10-7-6-8-3-4-9-7/h2-4,6H,1,5H2
InChIKeyZYBMMXTUPCNGBL-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.75
Rot. Bonds3

About 2-prop-2-enylsulfanylpyrazine

2-prop-2-enylsulfanylpyrazine (PubChem CID 3025899) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylpyrazine.

Molecular Properties

Compound Name2-prop-2-enylsulfanylpyrazine
PubChem CID3025899
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2-prop-2-enylsulfanylpyrazine
SMILESC=CCSc1cnccn1
InChIInChI=1S/C7H8N2S/c1-2-5-10-7-6-8-3-4-9-7/h2-4,6H,1,5H2
InChIKeyZYBMMXTUPCNGBL-UHFFFAOYSA-N
XLogP1.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-prop-2-enylsulfanylpyrazine?
The IUPAC name of 2-prop-2-enylsulfanylpyrazine (CID 3025899) is 2-prop-2-enylsulfanylpyrazine.
What is the SMILES notation for 2-prop-2-enylsulfanylpyrazine?
The canonical SMILES for 2-prop-2-enylsulfanylpyrazine is C=CCSc1cnccn1.
What is the InChIKey of 2-prop-2-enylsulfanylpyrazine?
The InChIKey is ZYBMMXTUPCNGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-2-5-10-7-6-8-3-4-9-7/h2-4,6H,1,5H2.
What are the key properties of 2-prop-2-enylsulfanylpyrazine?
2-prop-2-enylsulfanylpyrazine has a molecular weight of 152.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylpyrazine is sourced from PubChem (CID 3025899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).