Basic information
- CAS
7621-87-6- Standard SMILES
Cc1ccc2nc(-c3ccc(O)cc3)sc2c1- InChIKey
YRPIXORGESANFA-UHFFFAOYSA-N- Molecular formula
- C14H11NOS
- Average molar mass
- 241.31 g/mol
- Monoisotopic mass
- 241.05613515
Names & identifiers
- Preferred name
- 4-(6-Methyl-2-benzothiazolyl)phenol
- IUPAC
- 4-(6-methyl-1,3-benzothiazol-2-yl)phenol
Names & synonyms
7621-87-64-(6-Methyl-2-benzothiazolyl)phenolRefChem:2883844-(6-methyl-1,3-benzothiazol-2-yl)phenol4-(6-methylbenzothiazol-2-yl)phenolNSC408150CBMicro_000442Cambridge id 5840839SCHEMBL2244143DTXSID00417174YRPIXORGESANFA-UHFFFAOYSA-NSMSF0008370
Show more names
SBB009740STK070108AKOS000289016CB01671NSC-4081504-(6-methylbenzo[d]thiazol-2-yl)phenolNCGC00332595-01Phenol, 4-(6-methyl-2-benzothiazolyl)-
Database identifiers
- CAS
7621-87-6- PubChem CID
- 348697
- DTXSID
DTXSID00417174
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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