2-Methyl-6-phenylbenzothiazole
Basic information
- CAS
107559-02-4- Standard SMILES
Cc1nc2ccc(-c3ccccc3)cc2s1- InChIKey
QHLXZULIVMKONH-UHFFFAOYSA-N- Molecular formula
- C14H11NS
- Average molar mass
- 225.31 g/mol
- Monoisotopic mass
- 225.06122053
Names & identifiers
- Preferred name
- 2-Methyl-6-phenylbenzothiazole
- IUPAC
- 2-methyl-6-phenyl-1,3-benzothiazole
- English name
- 2-Methyl-6-phenylbenzothiazole
- Molecular formula
- C14H11NS
- Molecular weight
- 225.31
Names & synonyms
2-Methyl-6-phenylbenzothiazole107559-02-4DTXSID00301281RefChem:263631DTXCID902524152-Methyl-6-phenylbenzo[d]thiazole2-methyl-6-phenyl-1,3-benzothiazoleNSC142179SCHEMBL1983093SCHEMBL27389564SCHEMBL28015096MFCD00086016
Show more names
Benzothiazole, 2-methyl-6-phenyl-2-Methyl-6-phenylbenzothiazole,97%Benzothiazole, 2-methyl-6-phenyl- (6CI,9CI)
AKOS015919365NSC-142179ST50405847
Database identifiers
- CAS
107559-02-4- PubChem CID
- 285329
- DTXSID
DTXSID00301281- Nikkaji
- J846.063I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 90 · 90-95 °C
- Boiling point
- 194.7 °C · 194.7 °C
- Density
- 1.1384 · 1.1384 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 2 · 2-8°C
- Safety Statements
- 24 · 24/25
- HS Code
- 29342080 · 29342080
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29342080
- safety_code
- 24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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