Basic information
- CAS
696649-38-4- Standard SMILES
CCCCCCCCCCCCCCCOC(=O)c1nsc(Cl)c1Cl- InChIKey
HTKLTEPXKKXRME-UHFFFAOYSA-N- Molecular formula
- C19H31Cl2NO2S
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 407.1452558
Names & identifiers
- Preferred name
- 3-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl ester
- IUPAC
- pentadecyl 4,5-dichloro-1,2-thiazole-3-carboxylate
Names & synonyms
696649-38-43-Isothiazolecarboxylic acid, 4,5-dichloro-, pentadecyl esterRefChem:280213pentadecyl 4,5-dichloro-1,2-thiazole-3-carboxylatepentadecyl 4,5-dichloroisothiazole-3-carboxylateDTXSID901183155STK683570AKOS005597803ST4104353
Database identifiers
- CAS
696649-38-4- PubChem CID
- 4916751
- DTXSID
DTXSID901183155
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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