Basic information
- CAS
6265-95-8- Standard SMILES
CCOc1cc(-c2nc3ccccc3s2)ccc1O- InChIKey
MYSAMHNLEBYROT-UHFFFAOYSA-N- Molecular formula
- C15H13NO2S
- Average molar mass
- 271.3 g/mol
- Monoisotopic mass
- 271.06669983
Names & identifiers
- Preferred name
- 4-(1,3-Benzothiazol-2-yl)-2-ethoxyphenol
- IUPAC
- 4-(1,3-benzothiazol-2-yl)-2-ethoxyphenol
Names & synonyms
4-(1,3-benzothiazol-2-yl)-2-ethoxyphenol6265-95-8NSC33164NIOSH/SJ73610004-(2-Benzothiazolyl)-2-ethoxyphenolPhenol, 4-(2-benzothiazolyl)-2-ethoxy-SJ736100002-(4'-Hydroxy-3'-ethoxyphenyl)benzothiazoleOprea1_041024MLS000693815CHEMBL1596464SCHEMBL12470532
Show more names
DTXSID40417936HMS2761I114-benzothiazol-2-yl-2-ethoxyphenolNSC-33164STK201381AKOS000408462SMR0002997884-(benzo[d]thiazol-2-yl)-2-ethoxyphenol
Database identifiers
- CAS
6265-95-8- PubChem CID
- 233994
- DTXSID
DTXSID40417936- ChEMBL
CHEMBL1596464
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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