Benzothiazolium, 3-methyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, iodide (1:1)
Basic information
- CAS
2783-72-4- Standard SMILES
CN1/C(=C/c2sc3ccccc3[n+]2C)Sc2ccccc21.[I-]- InChIKey
UDQIDVMRMHXSSK-UHFFFAOYSA-M- Molecular formula
- C17H15IN2S2
- Average molar mass
- 438.4 g/mol
- Monoisotopic mass
- 437.97214
Names & identifiers
- Preferred name
- Benzothiazolium, 3-methyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, iodide (1:1)
- IUPAC
- (2Z)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole iodide
Names & synonyms
2783-72-4RefChem:1079366Benzothiazolium, 3-methyl-2-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, iodide (1:1)
Database identifiers
- CAS
2783-72-4- PubChem CID
- 6540440
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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