Basic information
- CAS
63870-45-1- Standard SMILES
CCC(=Cc1sc2ccccc2[n+]1CC)C=C1Oc2cc(C)c(C)cc2N1CC.[I-]- InChIKey
OZPMNWSLSANVJN-UHFFFAOYSA-M- Molecular formula
- C25H29IN2OS
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 532.10453
Names & identifiers
- Preferred name
- Benzoxazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-, iodide (1:1)
- IUPAC
- 3-ethyl-2-[2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5,6-dimethyl-1,3-benzoxazole iodide
Names & synonyms
63870-45-1Benzoxazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5,6-dimethyl-, iodideDTXSID70886656Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5,6-dimethyl-, iodide (1:1)Benzoxazolium, 3-ethyl-2-(2-((3-ethyl-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5,6-dimethyl-, iodideRefChem:118725DTXCID001025980Benzoxazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-, iodide (1:1)EINECS 264-534-8OZPMNWSLSANVJN-UHFFFAOYSA-MNS00054314
Database identifiers
- CAS
63870-45-1- PubChem CID
- 173993
- EC Number
- 264-534-8
Properties
Computed structural properties
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 632
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoxazolium, 3-ethyl-2-[2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5,6-dimethyl-, iodide (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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