Basic information
- Standard SMILES
CCOC(=O)N1CCCCN1C(=S)Cl- InChIKey
AGXWXFSVCWPKNF-UHFFFAOYSA-N- Molecular formula
- C8H13ClN2O2S
- Average molar mass
- 236.72 g/mol
Names & identifiers
- Preferred name
- N-ethoxycarbonyl-N'-chlorothiocarbonylhexahydropyridazine
- IUPAC
- ethyl 2-carbonochloridothioyldiazinane-1-carboxylate
Names & synonyms
SCHEMBL11189598AGXWXFSVCWPKNF-UHFFFAOYSA-NN-ethoxycarbonyl-N'-chlorothiocarbonylhexahydropyridazine
Database identifiers
- PubChem CID
- 53642385
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Related reactions
2 records
Compound notes
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