Basic information
- CAS
63665-75-8- Standard SMILES
Cc1cc(C2(c3ccc(O)c(C)c3)NS(=O)(=O)c3ccccc32)ccc1O- InChIKey
KSFXYPHFWHJVGG-UHFFFAOYSA-N- Molecular formula
- C21H19NO4S
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.10347926
Names & identifiers
- Preferred name
- Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-
- IUPAC
- 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2H-1,2-benzothiazol-3-yl]-2-methylphenol
Names & synonyms
Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis(2-methyl-DTXSID4069973Phenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-RefChem:860915DTXCID404403663665-75-8KSFXYPHFWHJVGG-UHFFFAOYSA-N3,3-Bis(4-hydroxy-3-methylphenyl)-2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione
Database identifiers
- CAS
63665-75-8- PubChem CID
- 113403
- DTXSID
DTXSID4069973
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 619
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-1,2-benzisothiazol-3(2H)-ylidene)bis[2-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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