Basic information
- CAS
36774-73-9- Standard SMILES
CN(C)c1ccc(-c2nc3cc(CC(=O)O)ccc3s2)cc1- InChIKey
BIRDTWYHBGEPKA-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.09324893
Names & identifiers
- Preferred name
- 5-Benzothiazoleacetic acid, 2-(4-dimethylaminophenyl)-
- IUPAC
- 2-[2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-5-yl]acetic acid
- English name
- 2-[4-(Dimethylamino)phenyl]-5-benzothiazoleacetic acid
- Molecular weight
- 0
Names & synonyms
36774-73-9BRN 08151475-BENZOTHIAZOLEACETIC ACID, 2-(4-DIMETHYLAMINOPHENYL)-2-(4-Dimethylaminophenyl)-5-benzothiazoleacetic acidDTXSID00190233RefChem:301245DTXCID10112724DB-2605772-[4-(Dimethylamino)phenyl ]-5-benzothiazoleacetic acid{2-[4-(dimethylamino)phenyl]-1,3-benzothiazol-5-yl}acetic acid2-[4-(Dimethylamino)phenyl]-5-benzothiazoleacetic acid
Database identifiers
- CAS
36774-73-9- PubChem CID
- 37533
- DTXSID
DTXSID00190233- Nikkaji
- J54.534A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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