Basic information
- CAS
883802-86-6- Standard SMILES
CCCCCCCCOc1nc2ccccc2s1- InChIKey
CZXIQKABMLWYLC-UHFFFAOYSA-N- Molecular formula
- C15H21NOS
- Average molar mass
- 263.4 g/mol
- Monoisotopic mass
- 263.13438547
Names & identifiers
- Preferred name
- 2-Octyloxy-benzothiazole
- IUPAC
- 2-octoxy-1,3-benzothiazole
- English name
- 2-Octyloxy-benzothiazole
- Molecular weight
- 0
Names & synonyms
2-OCTYLOXY-BENZOTHIAZOLESCHEMBL12371894SCHEMBL30423741AKOS024342724
Database identifiers
- CAS
883802-86-6- PubChem CID
- 3572292
- EC Number
- 161-799-0
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 225
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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