Basic information
- CAS
91091-02-0- Standard SMILES
Cc1nccnc1Sc1ccccc1- InChIKey
VTUFUZBJQBYXKY-UHFFFAOYSA-N- Molecular formula
- C11H10N2S
- Average molar mass
- 202.28 g/mol
- Monoisotopic mass
- 202.0564695
Overview
2-methyl-3-(phenylthio)pyrazine is an aryl sulfide.
Names & identifiers
- Preferred name
- Pyrazine, 2-methyl-3-phenylthio
- IUPAC
- 2-methyl-3-phenylsulfanylpyrazine
- English name
- 2-Phenylmercapto-3-methylpyrazine
- Molecular formula
- C11H10N2S
- Molecular weight
- 202.28
Names & synonyms
MLS000737319Pyrazine, 2-methyl-3-phenylthio91091-02-02-methyl-3-(phenylthio)pyrazine2-methyl-3-phenylsulfanylpyrazineNSC571652-METHYL-3-(PHENYLSULFANYL)PYRAZINECHEMBL15784833-methyl-2-(phenylthio)pyrazineDTXSID502886542-Phenylmercapto-3-methylpyrazineCHEBI:114307
Show more names
Pyrazine, 2-methyl-3-(phenylthio)-
VTUFUZBJQBYXKY-UHFFFAOYSA-NPyrazine,2-methyl-3-(phenylthio)-NSC-57165SMR000528264DS-012336Q27195704
Database identifiers
- CAS
91091-02-0- PubChem CID
- 245299
- DTXSID
DTXSID50288654- ChEMBL
CHEMBL1578483- ChEBI
CHEBI:114307- Nikkaji
- J601.743F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 308.4 · 308.4±37.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 0.84 · 0.84±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: 2-methyl-3-(phenylthio)pyrazine is an aryl sulfide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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