1,2-Benzisothiazole, 3-(phenylmethoxy)-, 1,1-dioxide
Basic information
- CAS
51176-79-5- Standard SMILES
O=S1(=O)N=C(OCc2ccccc2)c2ccccc21- InChIKey
LJJHEIQCQRVYIT-UHFFFAOYSA-N- Molecular formula
- C14H11NO3S
- Average molar mass
- 273.31 g/mol
- Monoisotopic mass
- 273.04596439
Names & identifiers
- Preferred name
- 1,2-Benzisothiazole, 3-(phenylmethoxy)-, 1,1-dioxide
- IUPAC
- 3-phenylmethoxy-1,2-benzothiazole 1,1-dioxide
Names & synonyms
51176-79-51,2-Benzisothiazole, 3-(phenylmethoxy)-, 1,1-dioxide3-(Benzyloxy)-1H-1lambda~6~,2-benzothiazole-1,1-dione3-phenylmethoxy-1,2-benzothiazole 1,1-dioxideCDS1_004053CBMicro_0175573-(benzyloxy)-1,2-benzothiazole 1,1-dioxideOprea1_196936DivK1c_005093CHEMBL1702896DTXSID30351375CCG-6197
Show more names
STK731689AKOS003224900NCGC00188409-01ST024404BIM-0017469.P001EU-00712083-(Benzyloxy)-1,2-benzisothiazole 1,1-dioxide3-(phenylmethoxy)benzo[d]1,2-thiazole-1,1-dione
Database identifiers
- CAS
51176-79-5- PubChem CID
- 698616
- DTXSID
DTXSID30351375- ChEMBL
CHEMBL1702896
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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