Basic information
- CAS
63744-02-5- Standard SMILES
CC(C)N1C(=O)c2ccccc2S12c1ccccc1C(=O)N2C(C)C- InChIKey
ONSWBGWLMLKBGN-UHFFFAOYSA-N- Molecular formula
- C20H22N2O2S
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.14019912
Names & identifiers
- Preferred name
- 2,2'-Di(propan-2-yl)-1,1'-spirobi[1,2-benzothiazole]-3,3'-dione
- IUPAC
- 2,2'-di(propan-2-yl)-1,1'-spirobi[1,2-benzothiazole]-3,3'-dione
Names & synonyms
63744-02-5NSC3543992,2'-di(propan-2-yl)-1,1'-spirobi[1,2-benzothiazole]-3,3'-dioneSCHEMBL24435607DTXSID10320064NSC-3543991,2-benzisothiazole]-3,3'(2H,2'H)-dione, 2,2'-bis(1-methylethyl)-2,2'-Di(propan-2-yl)-1lambda~4~-1,1'-spirobi[[1,2]benzothiazole]-3,3'(2H,2'H)-dione
Database identifiers
- CAS
63744-02-5- PubChem CID
- 337223
- DTXSID
DTXSID10320064- Nikkaji
- J530.774K
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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