Basic information
- CAS
21917-91-9- Standard SMILES
Cc1nc2ccc3c4ccccc4ccc3c2s1- InChIKey
ZPYGSEZNEZRJCM-UHFFFAOYSA-N- Molecular formula
- C16H11NS
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.06122053
Names & identifiers
- Preferred name
- Phenanthro(2,1-d)thiazole, 2-methyl-
- IUPAC
- 2-methylnaphtho[1,2-g][1,3]benzothiazole
- English name
- 2-Methylphenanthro[2,1-d]thiazole
- Molecular weight
- 0
Names & synonyms
2-Methylphenanthro[2,1-d]thiazole21917-91-9BRN 15761672-Methylphenanthro(2,1-d)thiazolePhenanthro(2,1-d)thiazole, 2-methyl-RefChem:3685952-methylphenanthro[2,1-d][1,3]thiazoleDTXSID00944516
Database identifiers
- CAS
21917-91-9- PubChem CID
- 89104
- DTXSID
DTXSID00944516- Nikkaji
- J34.541E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Density
- 1.1726 · 1.1726 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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