Basic information
- CAS
63059-42-7- Standard SMILES
CCC(/C=C1\Sc2ccc(Cl)cc2N1CC)=C\c1nc2cc(Cl)ccc2s1- InChIKey
XGKILEHZEQGFCK-AALPXBCWSA-N- Molecular formula
- C21H18Cl2N2S2
- Average molar mass
- 433.4 g/mol
- Monoisotopic mass
- 432.0288463
Names & identifiers
- Preferred name
- Benzothiazole, 5-chloro-2-[2-[(5-chloro-2-benzothiazolyl)methylene]butylidene]-3-ethyl-2,3-dihydro-
- IUPAC
- (2Z)-5-chloro-2-[(2E)-2-[(5-chloro-1,3-benzothiazol-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzothiazole
Names & synonyms
EINECS 263-818-9Benzothiazole, 5-chloro-2-(2-((5-chloro-2-benzothiazolyl)methylene)butylidene)-3-ethyl-2,3-dihydro-Benzothiazole, 5-chloro-2-[2-[(5-chloro-2-benzothiazolyl)methylene]butylidene]-3-ethyl-2,3-dihydro-RefChem:5662885-Chloro-2-(2-((5-chlorobenzothiazol-2-yl)methylene)butylidene)-3-ethyl-2,3-dihydrobenzothiazole
Database identifiers
- CAS
63059-42-7- PubChem CID
- 6437752
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazole, 5-chloro-2-[2-[(5-chloro-2-benzothiazolyl)methylene]butylidene]-3-ethyl-2,3-dihydro-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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