Basic information
- CAS
1742-90-1- Standard SMILES
CCC(=Cc1sc2ccc3ccccc3c2[n+]1C)C=C1Sc2ccc3ccccc3c2N1C.[Cl-]- InChIKey
JTZQODFHTUJZPJ-UHFFFAOYSA-M- Molecular formula
- C29H25ClN2S2
- Average molar mass
- 501.1 g/mol
- Monoisotopic mass
- 500.1147688
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1-Methyl-2-[2-[1-methylnaphtho[1,2-d]thiazole-2(1H)-ylidenemethyl]-1-butenyl]naphtho[1,2-d]thiazole-1-ium.chloride
- IUPAC
- 1-methyl-2-[2-[(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]butylidene]benzo[e][1,3]benzothiazole chloride
Names & synonyms
SCHEMBL11525686JTZQODFHTUJZPJ-UHFFFAOYSA-M1-Methyl-2-(2-((1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl)but-1-en-1-yl)naphtho[1,2-d]thiazol-1-ium chloride1-Methyl-2-[2-[1-methylnaphtho[1,2-d]thiazole-2(1H)-ylidenemethyl]-1-butenyl]naphtho[1,2-d]thiazole-1-ium.chloride1-Methyl-2-{2-[(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]but-1-en-1-yl}naphtho[1,2-d][1,3]thiazol-1-ium chloride
Database identifiers
- CAS
1742-90-1- PubChem CID
- 74449
- DTXSID
DTXSID30883747
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 717
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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