Basic information
- Standard SMILES
ClC1(Cl)C=CC=CC1N=C1SCCN1CC1CCC1- InChIKey
XOQCVMPHSXRXPE-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2S
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 316.0567751
Names & identifiers
- Preferred name
- 2-(2,2-Dichlorophenylimino)-3-(cyclobutylmethyl)-1,3-thiazolidine
- IUPAC
- 3-(cyclobutylmethyl)-N-(6,6-dichlorocyclohexa-2,4-dien-1-yl)-1,3-thiazolidin-2-imine
Names & synonyms
SCHEMBL7119428XOQCVMPHSXRXPE-UHFFFAOYSA-N2-(2,2-dichlorophenylimino)-3-(cyclobutylmethyl)-1,3-thiazolidine
Database identifiers
- PubChem CID
- 69994755
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 427
Related reactions
2 records
Compound notes
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