Basic information
- CAS
83544-06-3- Standard SMILES
c1ccc(C(Sc2nc3ccccc3s2)(c2ccccc2)c2ccccc2)cc1- InChIKey
WNPALTCIKPIRCF-UHFFFAOYSA-N- Molecular formula
- C26H19NS2
- Average molar mass
- 409.6 g/mol
- Monoisotopic mass
- 409.09589196
Names & identifiers
- Preferred name
- 2-Tritylsulfanyl-benzothiazole
- IUPAC
- 2-tritylsulfanyl-1,3-benzothiazole
Names & synonyms
SCHEMBL93536882-TRITYLSULFANYL-BENZOTHIAZOLEAKOS003620789AG-205/07810025
Database identifiers
- CAS
83544-06-3- PubChem CID
- 4598545
- EC Number
- 162-372-1
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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