Basic information
- CAS
883802-92-4- Standard SMILES
CCCCCCC(C)Oc1nc2ccccc2s1- InChIKey
UJMGQKKSZAVQGD-UHFFFAOYSA-N- Molecular formula
- C15H21NOS
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.13438547
Names & identifiers
- Preferred name
- 2-(1-Methyl-heptyloxy)-benzothiazole
- IUPAC
- 2-octan-2-yloxy-1,3-benzothiazole
Names & synonyms
SCHEMBL12371902SCHEMBL30423386AKOS0243427252-(1-METHYL-HEPTYLOXY)-BENZOTHIAZOLE
Database identifiers
- CAS
883802-92-4- PubChem CID
- 3572293
- EC Number
- 161-800-4
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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