2-(3-fluoropropylsulfanyl)pyrazine

C7H9FN2S — CID 131224235

IUPAC2-(3-fluoropropylsulfanyl)pyrazine
SMILESFCCCSc1cnccn1
InChIInChI=1S/C7H9FN2S/c8-2-1-5-11-7-6-9-3-4-10-7/h3-4,6H,1-2,5H2
InChIKeyWTWVDMAXVUKRAN-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.93
Rot. Bonds4

About 2-(3-fluoropropylsulfanyl)pyrazine

2-(3-fluoropropylsulfanyl)pyrazine (PubChem CID 131224235) has the molecular formula C7H9FN2S and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(3-fluoropropylsulfanyl)pyrazine.

Molecular Properties

Compound Name2-(3-fluoropropylsulfanyl)pyrazine
PubChem CID131224235
Molecular FormulaC7H9FN2S
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name2-(3-fluoropropylsulfanyl)pyrazine
SMILESFCCCSc1cnccn1
InChIInChI=1S/C7H9FN2S/c8-2-1-5-11-7-6-9-3-4-10-7/h3-4,6H,1-2,5H2
InChIKeyWTWVDMAXVUKRAN-UHFFFAOYSA-N
XLogP1.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-fluoropropylsulfanyl)pyrazine?
The IUPAC name of 2-(3-fluoropropylsulfanyl)pyrazine (CID 131224235) is 2-(3-fluoropropylsulfanyl)pyrazine.
What is the SMILES notation for 2-(3-fluoropropylsulfanyl)pyrazine?
The canonical SMILES for 2-(3-fluoropropylsulfanyl)pyrazine is FCCCSc1cnccn1.
What is the InChIKey of 2-(3-fluoropropylsulfanyl)pyrazine?
The InChIKey is WTWVDMAXVUKRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2S/c8-2-1-5-11-7-6-9-3-4-10-7/h3-4,6H,1-2,5H2.
What are the key properties of 2-(3-fluoropropylsulfanyl)pyrazine?
2-(3-fluoropropylsulfanyl)pyrazine has a molecular weight of 172.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylsulfanyl)pyrazine is sourced from PubChem (CID 131224235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).