Basic information
- Standard SMILES
CC(C)(C)c1cc2c(cc1SC#N)CCN2S(=O)(=O)c1ccc(C#N)cc1- InChIKey
UJKZVLPMGYKXTL-UHFFFAOYSA-N- Molecular formula
- C20H19N3O2S2
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- 4-(6-tert-Butyl-5-thiocyanato-2,3-dihydro-indole-1-sulfonyl)-benzonitrile
- IUPAC
- [6-tert-butyl-1-(4-cyanophenyl)sulfonyl-2,3-dihydroindol-5-yl] thiocyanate
Names & synonyms
SCHEMBL6298484UJKZVLPMGYKXTL-UHFFFAOYSA-N4-(6-tert-Butyl-5-thiocyanato-2,3-dihydro-indole-1-sulfonyl)-benzonitrile
Database identifiers
- PubChem CID
- 22573072
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 742
Related reactions
6 records
Compound notes
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