2-bromo-5-methylsulfanylpyrazine

C5H5BrN2S — CID 46238455

IUPAC2-bromo-5-methylsulfanylpyrazine
SMILESCSc1cnc(Br)cn1
InChIInChI=1S/C5H5BrN2S/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3
InChIKeyADYYWEIFRRHWRJ-UHFFFAOYSA-N
MW205.08 g/mol
LogP1.96
Rot. Bonds1

About 2-bromo-5-methylsulfanylpyrazine

2-bromo-5-methylsulfanylpyrazine (PubChem CID 46238455) has the molecular formula C5H5BrN2S and a molecular weight of 205.08 g/mol. Its IUPAC name is 2-bromo-5-methylsulfanylpyrazine.

Molecular Properties

Compound Name2-bromo-5-methylsulfanylpyrazine
PubChem CID46238455
Molecular FormulaC5H5BrN2S
Molecular Weight205.08 g/mol
Exact Mass203.94
IUPAC Name2-bromo-5-methylsulfanylpyrazine
SMILESCSc1cnc(Br)cn1
InChIInChI=1S/C5H5BrN2S/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3
InChIKeyADYYWEIFRRHWRJ-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-methylsulfanylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylsulfanylpyrazine?
The IUPAC name of 2-bromo-5-methylsulfanylpyrazine (CID 46238455) is 2-bromo-5-methylsulfanylpyrazine.
What is the SMILES notation for 2-bromo-5-methylsulfanylpyrazine?
The canonical SMILES for 2-bromo-5-methylsulfanylpyrazine is CSc1cnc(Br)cn1.
What is the InChIKey of 2-bromo-5-methylsulfanylpyrazine?
The InChIKey is ADYYWEIFRRHWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2S/c1-9-5-3-7-4(6)2-8-5/h2-3H,1H3.
What are the key properties of 2-bromo-5-methylsulfanylpyrazine?
2-bromo-5-methylsulfanylpyrazine has a molecular weight of 205.08 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylsulfanylpyrazine is sourced from PubChem (CID 46238455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).