Phenylthio pyrazine
Basic information
- CAS
107697-83-6- Standard SMILES
c1ccc(Sc2cnccn2)cc1- InChIKey
VAUCOCSGTRUZBW-UHFFFAOYSA-N- Molecular formula
- C10H8N2S
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.04081944
Names & identifiers
- Preferred name
- Phenylthio pyrazine
- IUPAC
- 2-phenylsulfanylpyrazine
Names & synonyms
phenylthio pyrazine107697-83-6Phenylthiopyrazin2-(PHENYLSULFANYL)PYRAZINE(Phenylthio)pyrazinePyrazine, phenylthioDTXSID90335934VAUCOCSGTRUZBW-UHFFFAOYSA-N
Database identifiers
- CAS
107697-83-6- PubChem CID
- 528052
- DTXSID
DTXSID90335934- Nikkaji
- J829.639A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
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Compound notes
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