Basic information
- CAS
92163-82-1- Standard SMILES
Cc1ccc(S(=O)(=O)n2c(=O)sc3ccccc32)cc1- InChIKey
VXEPQANTIWUZDC-UHFFFAOYSA-N- Molecular formula
- C14H11NO3S2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.01803556
Names & identifiers
- Preferred name
- 2(3H)-Benzothiazolone, 3-[(4-methylphenyl)sulfonyl]-
- IUPAC
- 3-(4-methylphenyl)sulfonyl-1,3-benzothiazol-2-one
Names & synonyms
92163-82-12(3H)-Benzothiazolone, 3-[(4-methylphenyl)sulfonyl]-3-[(4-methylphenyl)sulfonyl]-1,3-benzothiazol-2(3H)-oneF1641-01013-(4-methylphenyl)sulfonyl-1,3-benzothiazol-2-oneChemDiv3_006903CHEMBL5010963DTXSID50406730HMS1492J17SMSSF-00422953-tosylbenzo[d]thiazol-2(3H)-oneSTK895150
Show more names
AKOS001145340CCG-120041IDI1_0248133-(p-tolylsulfonyl)-2(3h)-benzothiazoloneST50112574AT-057/42796578SR-01000087913SR-01000087913-1
Database identifiers
- CAS
92163-82-1- PubChem CID
- 4912944
- DTXSID
DTXSID50406730- ChEMBL
CHEMBL5010963
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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