2-Bromo-5-(methylthio)pyrazine

• CAS: 1049026-49-4
• Catalog Number: ACM1049026494
• Category: Bromine Series
• Molecular Weight: 205.0756
• Molecular Formula: C₅H₅N₂BrS
• Synonyms: 2-BROMO-5-(METHYLTHIO)PYRAZINE;2-BROMO-5-METHYLMERCAPTOPYRAZINE
• IUPAC Name: 2-bromo-5-methylsulfanylpyrazine
• Canonical SMILES: CSC1=CN=C(C=N1)Br
• InChI Key: ADYYWEIFRRHWRJ-UHFFFAOYSA-N
• Boiling Point: 270.468ºC at 760 mmHg
• Flash Point: 117.375ºC
• Density: 1.722 g/cm³
• Exact Mass: 203.93600
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2-Bromo-5-(methylthio)pyrazine?

The molecular formula is C5H5BrN2S.

What is the molecular weight of 2-Bromo-5-(methylthio)pyrazine?

The molecular weight is 205.08 g/mol.

When was 2-Bromo-5-(methylthio)pyrazine created and modified in PubChem?

It was created on 2010-07-14 and last modified on 2023-12-02.

What is the IUPAC name of 2-Bromo-5-(methylthio)pyrazine?

The IUPAC name is 2-bromo-5-methylsulfanylpyrazine.

What is the Canonical SMILES representation of 2-Bromo-5-(methylthio)pyrazine?

The Canonical SMILES is CSC1=CN=C(C=N1)Br.

What is the InChIKey of 2-Bromo-5-(methylthio)pyrazine?

The InChIKey is ADYYWEIFRRHWRJ-UHFFFAOYSA-N.

What is the XLogP3-AA value of 2-Bromo-5-(methylthio)pyrazine?

The XLogP3-AA value is 1.7.

How many hydrogen bond acceptor count does 2-Bromo-5-(methylthio)pyrazine have?

It has 3 hydrogen bond acceptors.

What is the topological polar surface area of 2-Bromo-5-(methylthio)pyrazine?

The topological polar surface area is 51.1Ų.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.