Basic information
- Standard SMILES
CCN1C(=CC(=O)C(Cl)(Cl)Cl)Sc2ccccc21- InChIKey
VJZPAERWONEMSM-UHFFFAOYSA-N- Molecular formula
- C12H10Cl3NOS
- Average molar mass
- 322.6 g/mol
Names & identifiers
- Preferred name
- 2-Trichloroacetylmethylene-3-ethyl-benzothiazoline
- IUPAC
- 1,1,1-trichloro-3-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-one
Names & synonyms
SCHEMBL8852825VJZPAERWONEMSM-UHFFFAOYSA-N2-trichloroacetylmethylene-3-ethyl-benzothiazoline
Database identifiers
- PubChem CID
- 54396017
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 367
Related reactions
1 records
Compound notes
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