Basic information
- CAS
104388-90-1- Standard SMILES
Cc1ccc2nc(NC(=O)C(=O)O)sc2c1- InChIKey
PMIFYOZRYILPEX-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3S
- Average molar mass
- 236.25 g/mol
- Monoisotopic mass
- 236.0255633
Names & identifiers
- Preferred name
- Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-
- IUPAC
- 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid
Names & synonyms
104388-90-1((6-Methyl-2-benzothiazolyl)amino)oxoacetic acidACETIC ACID, ((6-METHYL-2-BENZOTHIAZOLYL)AMINO)OXO-DTXSID40146451RefChem:316067DTXCID5068942[(6-methyl-1,3-benzothiazol-2-yl)amino](oxo)acetic acid
Database identifiers
- CAS
104388-90-1- PubChem CID
- 59853
- DTXSID
DTXSID40146451
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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