3-Phenyl-1,2-benzisothiazole
Basic information
- CAS
70132-76-2- Standard SMILES
c1ccc(-c2nsc3ccccc23)cc1- InChIKey
ZWESUCPHTMPHNJ-UHFFFAOYSA-N- Molecular formula
- C13H9NS
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.04557046
Names & identifiers
- Preferred name
- 3-Phenyl-1,2-benzisothiazole
- IUPAC
- 3-phenyl-1,2-benzothiazole
Names & synonyms
3-phenyl-1,2-benzisothiazole70132-76-2DTXSID20320333RefChem:281661DTXCID002714553-phenyl-1,2-benzothiazoleNSC358122SCHEMBL3150476SCHEMBL6964514NSC-358122
Database identifiers
- CAS
70132-76-2- PubChem CID
- 337917
- DTXSID
DTXSID20320333- Nikkaji
- J1.528.328I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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