Basic information
- CAS
183561-67-3- Standard SMILES
CCOc1ccc(-c2nc3ccccc3s2)cc1- InChIKey
NAUXHTYTQIQZJI-UHFFFAOYSA-N- Molecular formula
- C15H13NOS
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.07178521
Names & identifiers
- Preferred name
- Benzothiazole, 2-(4-ethoxyphenyl)-
- IUPAC
- 2-(4-ethoxyphenyl)-1,3-benzothiazole
Names & synonyms
Benzothiazole, 2-(4-ethoxyphenyl)-183561-67-3DTXSID30398301RefChem:328195DTXCID203491602-(4-ethoxyphenyl)-1,3-benzothiazole2-(4-ethoxyphenyl)benzo[d]thiazoleF0013-0083IFLab1_000009CHEMBL1808313SCHEMBL13198328HMS1412A09
Show more names
SMSSF-0531026AKOS0033432702-(p-ethoxyphenyl)-1,3-benzothiazoleIDI1_00822810.14272/NAUXHTYTQIQZJI-UHFFFAOYSA-N.1doi:10.14272/NAUXHTYTQIQZJI-UHFFFAOYSA-N.1
Database identifiers
- CAS
183561-67-3- PubChem CID
- 3969908
- DTXSID
DTXSID30398301- ChEMBL
CHEMBL1808313- Nikkaji
- J1.834.637K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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