Basic information
- Standard SMILES
CN1CCCC1CCN=C=S- InChIKey
DEICMGPKOMFMAZ-UHFFFAOYSA-N- Molecular formula
- C8H14N2S
- Average molar mass
- 170.28 g/mol
Names & identifiers
- Preferred name
- 2-(2-Isothiocyanatoethyl)-1-methylpyrrolidine
- IUPAC
- 2-(2-isothiocyanatoethyl)-1-methylpyrrolidine
Names & synonyms
SCHEMBL5845405DEICMGPKOMFMAZ-UHFFFAOYSA-N2-(2-isothiocyanatoethyl)-1-methylpyrrolidine
Database identifiers
- PubChem CID
- 21992328
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Related reactions
6 records
Compound notes
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