5-(Methylsulfanyl)-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile
Basic information
- CAS
918801-22-6- Standard SMILES
CSc1cc(-c2ccccc2)c2sc(-c3ccccc3)nc2c1C#N- InChIKey
VKUSQEYJRROGIT-UHFFFAOYSA-N- Molecular formula
- C21H14N2S2
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.0598408
Names & identifiers
- Preferred name
- 5-(Methylsulfanyl)-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile
- IUPAC
- 5-methylsulfanyl-2,7-diphenyl-1,3-benzothiazole-4-carbonitrile
Names & synonyms
918801-22-65-(Methylsulfanyl)-2,7-diphenyl-1,3-benzothiazole-4-carbonitrileDTXSID70582161
Database identifiers
- CAS
918801-22-6- PubChem CID
- 16092015
- DTXSID
DTXSID70582161- Nikkaji
- J2.397.889J
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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