3,6-Diethylpyrazine-2(1H)-thione
Basic information
- CAS
86799-78-2- Standard SMILES
CCc1cnc(CC)c(=S)[nH]1- InChIKey
XXXZCOGKDHPXOL-UHFFFAOYSA-N- Molecular formula
- C8H12N2S
- Average molar mass
- 168.26 g/mol
- Monoisotopic mass
- 168.07211956
Names & identifiers
- Preferred name
- 3,6-Diethylpyrazine-2(1H)-thione
- IUPAC
- 3,6-diethyl-1H-pyrazine-2-thione
Names & synonyms
3,6-Diethylpyrazine-2(1H)-thione86799-78-2DTXSID10513974RefChem:272355DTXCID20464781
Database identifiers
- CAS
86799-78-2- PubChem CID
- 12957656
- DTXSID
DTXSID10513974
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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