5-(Methylsulfanyl)-7-(naphthalen-1-yl)-2-phenyl-1,3-benzothiazole-4-carbonitrile
Basic information
- CAS
918801-27-1- Standard SMILES
CSc1cc(-c2cccc3ccccc23)c2sc(-c3ccccc3)nc2c1C#N- InChIKey
DVUHYAJWYCXTQE-UHFFFAOYSA-N- Molecular formula
- C25H16N2S2
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.07549087
Names & identifiers
- Preferred name
- 5-(Methylsulfanyl)-7-(naphthalen-1-yl)-2-phenyl-1,3-benzothiazole-4-carbonitrile
- IUPAC
- 5-methylsulfanyl-7-naphthalen-1-yl-2-phenyl-1,3-benzothiazole-4-carbonitrile
Names & synonyms
918801-27-15-(Methylsulfanyl)-7-(naphthalen-1-yl)-2-phenyl-1,3-benzothiazole-4-carbonitrile5-(Methylthio)-7-(naphthalen-1-yl)-2-phenylbenzo[d]thiazole-4-carbonitrileDTXSID30582162
Database identifiers
- CAS
918801-27-1- PubChem CID
- 16092017
- DTXSID
DTXSID30582162
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 609
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Compound notes
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