Basic information
- Standard SMILES
CCSc1nc(C#N)c(C#N)nc1Cl- InChIKey
LLBCOANRROTHEW-UHFFFAOYSA-N- Molecular formula
- C8H5ClN4S
- Average molar mass
- 224.67 g/mol
- Monoisotopic mass
- 223.992345
Names & identifiers
- Preferred name
- 2,3-Dicyano-5-chloro-6-ethylthiopyrazine
- IUPAC
- 5-chloro-6-ethylsulfanylpyrazine-2,3-dicarbonitrile
Names & synonyms
SCHEMBL11091479LLBCOANRROTHEW-UHFFFAOYSA-N2,3-dicyano-5-chloro-6-ethylthiopyrazine
Database identifiers
- PubChem CID
- 12873754
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 290
Related reactions
3 records
Compound notes
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