Pyrimido(2,1-b)benzothiazol-5-ium, 2,4-dimethyl-, perchlorate
Basic information
- CAS
28737-68-0- Standard SMILES
Cc1cc(C)[n+]2c(n1)sc1ccccc12.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
WUIDJRDIGDUPBW-UHFFFAOYSA-M- Molecular formula
- C12H11ClN2O4S
- Average molar mass
- 314.75 g/mol
- Monoisotopic mass
- 314.0128057
Names & identifiers
- Preferred name
- Pyrimido(2,1-b)benzothiazol-5-ium, 2,4-dimethyl-, perchlorate
- IUPAC
- 2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorate
- English name
- Pyrimido(2,1-b)benzothiazol-5-ium, 2,4-dimethyl-, perchlorate
- Molecular weight
- 0
Names & synonyms
28737-68-0Pyrimido(2,1-b)benzothiazol-5-ium, 2,4-dimethyl-, perchlorate2,4-Dimethyl-pyrimido(2,1-b)benzothiazole perchlorate2,4-Dimethyl-pyrimido(2,1-b)benzothiazol-5-ium perchlorateDTXSID40182899RefChem:377739DTXCID30105390Pyrimido[2,1-b]benzothiazol-5-ium, 2,4-dimethyl-, perchlorate (1:1)2,4-dimethylpyrimido[2,1-b][1,3]benzothiazol-5-ium perchlorateAKOS001016902SR-01000401361SR-01000401361-1
Show more names
Z56788853
Database identifiers
- CAS
28737-68-0- PubChem CID
- 206804
- DTXSID
DTXSID40182899
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…