Basic information
- CAS
160252-33-5- Standard SMILES
CC(C)(C)c1nnsc1N1C(=O)c2ccccc2C1=O- InChIKey
KVJPPYJRQYJZAE-UHFFFAOYSA-N- Molecular formula
- C14H13N3O2S
- Average molar mass
- 287.34 g/mol
- Monoisotopic mass
- 287.07284784
Names & identifiers
- Preferred name
- 2-[4-(1,1-Dimethylethyl)-1,2,3-thiadiazol-5-yl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(4-tert-butylthiadiazol-5-yl)isoindole-1,3-dione
Names & synonyms
2-[4-(1,1-Dimethylethyl)-1,2,3-thiadiazol-5-yl]-1H-isoindole-1,3(2H)-dione160252-33-5DTXSID601144631AKOS0049044582-(4-tert-Butyl-1,2,3-thiadiazol-5-yl)-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
160252-33-5- PubChem CID
- 2748874
- DTXSID
DTXSID601144631
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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