2H-Thiopyranium, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide
Basic information
- CAS
124939-78-2- Standard SMILES
C[S+]1CCC(=C2c3ccccc3CCc3sccc32)CC1.[I-]- InChIKey
XOMOMXPVBKHLFZ-UHFFFAOYSA-M- Molecular formula
- C19H21IS2
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 440.01294
Names & identifiers
- Preferred name
- 2H-Thiopyranium, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide
- IUPAC
- 2-(1-methylthian-1-ium-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene iodide
Names & synonyms
2H-Thiopyranium, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide124939-78-22H-Thiopyranium, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-,iodide
Database identifiers
- CAS
124939-78-2- PubChem CID
- 3079263
Properties
Computed structural properties
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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