Quinoxaline, 2-methyl-3-(pentylthio)-
Basic information
- CAS
126808-33-1- Standard SMILES
CCCCCSc1nc2ccccc2nc1C- InChIKey
NPPMRPFZGZORJR-UHFFFAOYSA-N- Molecular formula
- C14H18N2S
- Average molar mass
- 246.37 g/mol
- Monoisotopic mass
- 246.11906976
Names & identifiers
- Preferred name
- Quinoxaline, 2-methyl-3-(pentylthio)-
- IUPAC
- 2-methyl-3-pentylsulfanylquinoxaline
Names & synonyms
Quinoxaline, 2-methyl-3-(pentylthio)-2-Methyl-3-(pentylthio)quinoxaline126808-33-1DTXSID90155295RefChem:378895DTXCID40777862-METHYL-3-(PENTYLSULFANYL)QUINOXALINE
Database identifiers
- CAS
126808-33-1- PubChem CID
- 3079965
- DTXSID
DTXSID90155295
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
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Compound notes
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