Basic information
- Standard SMILES
N#CCOC(=O)c1cccnc1SCC#N- InChIKey
IGNOIXRUJYCWDS-UHFFFAOYSA-N- Molecular formula
- C10H7N3O2S
- Average molar mass
- 233.25 g/mol
Names & identifiers
- Preferred name
- Cyanomethyl 2-(cyanomethylthio)nicotinate
- IUPAC
- cyanomethyl 2-(cyanomethylsulfanyl)pyridine-3-carboxylate
Names & synonyms
SCHEMBL11337662IGNOIXRUJYCWDS-UHFFFAOYSA-NHMS1789J14AKOS033707734cyanomethyl 2-(cyanomethylthio)nicotinateZ19779599
Database identifiers
- PubChem CID
- 2532264
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Related reactions
1 records
Compound notes
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