Basic information
- CAS
73003-74-4- Standard SMILES
CCSc1nccnc1CC(C)C- InChIKey
DGQMCLSYOVKMIK-UHFFFAOYSA-N- Molecular formula
- C10H16N2S
- Average molar mass
- 196.31 g/mol
- Monoisotopic mass
- 196.10341969
Names & identifiers
- Preferred name
- Pyrazine, 2-(ethylthio)-3-(2-methylpropyl)-
- IUPAC
- 2-ethylsulfanyl-3-(2-methylpropyl)pyrazine
- English name
- 2-(ethylthio)-3-(2-methylpropyl)pyrazine
- Molecular formula
- C10H16N2S
- Molecular weight
- 196.31
Names & synonyms
Pyrazine, 2-(ethylthio)-3-(2-methylpropyl)-EINECS 277-202-22-(Ethylthio)-3-(2-methylpropyl)pyrazineDTXSID2072706RefChem:177442DTXCID9047467277-202-273003-74-42-(ETHYLSULFANYL)-3-(2-METHYLPROPYL)PYRAZINEDGQMCLSYOVKMIK-UHFFFAOYSA-NNS00058582
Database identifiers
- CAS
73003-74-4- PubChem CID
- 175372
- DTXSID
DTXSID2072706- EC Number
- 277-202-2
- Nikkaji
- J296.460K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 280.8 · 280.8±40.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 0.56 · 0.56±0.10(Predicted)
- EPA Substance Registry System
- 2 · Pyrazine, 2-(ethylthio)-3-(2-methylpropyl)- (73003-74-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPyrazine, 2-(ethylthio)-3-(2-methylpropyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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