Basic information
- CAS
52886-13-2- Standard SMILES
CCC(=Cc1nc2ccccc2s1)C=C1Nc2ccccc2S1- InChIKey
DTNDHONVOGTZQL-UHFFFAOYSA-N- Molecular formula
- C19H16N2S2
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.07549087
Names & identifiers
- Preferred name
- 2-{2-[(1,3-Benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazole
- IUPAC
- 2-[2-(3H-1,3-benzothiazol-2-ylidenemethyl)but-1-enyl]-1,3-benzothiazole
Names & synonyms
52886-13-2DTXSID906015852-{2-[(1,3-Benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-1,3-benzothiazole
Database identifiers
- CAS
52886-13-2- PubChem CID
- 19972298
- DTXSID
DTXSID90601585
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…