2-(Phenylsulfonyl)-1,3-benzothiazole
Basic information
- CAS
64345-00-2- Standard SMILES
O=S(=O)(c1ccccc1)c1nc2ccccc2s1- InChIKey
LXSLRBQXKPGTHX-UHFFFAOYSA-N- Molecular formula
- C13H9NO2S2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.00747088
Names & identifiers
- Preferred name
- 2-(Phenylsulfonyl)-1,3-benzothiazole
- IUPAC
- 2-(benzenesulfonyl)-1,3-benzothiazole
Names & synonyms
2-(phenylsulfonyl)-1,3-benzothiazole64345-00-2DTXSID20292788RefChem:254587DTXCID902439292-(benzenesulfonyl)-1,3-benzothiazole2-(phenylsulfonyl)benzothiazoleNSC85541SCHEMBL106514722-(phenylsulfonyl)benzo[d]thiazoleNSC-85541
Database identifiers
- CAS
64345-00-2- PubChem CID
- 257488
- DTXSID
DTXSID20292788- Nikkaji
- J3.634.655H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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