Basic information
- CAS
61968-76-1- Standard SMILES
Cc1cc2sc(-c3ccc(N=Nc4ccc(-c5nc6cc(CSC(N(C)C)=[N+](C)C)c(C)cc6s5)cc4)cc3)nc2cc1CSC(N(C)C)=[N+](C)C.[Cl-]- InChIKey
AWDFVJLJWLVKRP-UHFFFAOYSA-M- Molecular formula
- C40H46ClN8S4+
- Average molar mass
- 802.6 g/mol
- Monoisotopic mass
- 801.2416809
Names & identifiers
- Preferred name
- [Dimethylamino-[[2-[4-[[4-[5-[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-6-methyl-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazol-5-yl]methylsulfanyl]methylidene]-dimethylazanium chloride
- IUPAC
- [dimethylamino-[[2-[4-[[4-[5-[[dimethylamino(dimethylazaniumylidene)methyl]sulfanylmethyl]-6-methyl-1,3-benzothiazol-2-yl]phenyl]diazenyl]phenyl]-6-methyl-1,3-benzothiazol-5-yl]methylsulfanyl]methylidene]-dimethylazanium chloride
Names & synonyms
orb1698574AKOS040750302T29841
Database identifiers
- CAS
61968-76-1- PubChem CID
- 3085231
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 53
- Formal charge
- 1
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…