Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester
Basic information
- CAS
104388-84-3- Standard SMILES
COC(=O)C(=O)Nc1nc2ccccc2s1- InChIKey
FWIIRZSCJJVCDU-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3S
- Average molar mass
- 236.25 g/mol
- Monoisotopic mass
- 236.0255633
Names & identifiers
- Preferred name
- Acetic acid, (2-benzothiazolylamino)oxo-, methyl ester
- IUPAC
- methyl 2-(1,3-benzothiazol-2-ylamino)-2-oxoacetate
Names & synonyms
Benzothiazolyl-2-oxaminic acid, methyl esterACETIC ACID, (2-BENZOTHIAZOLYLAMINO)OXO-, METHYL ESTER104388-84-3(2-Benzothiazolylamino)oxoacetic acid methyl esterDTXSID30146445RefChem:316149DTXCID1068936methyl (1,3-benzothiazol-2-ylamino)(oxo)acetateAI-204/31755021Methyl [(1,3-benzothiazol-2-yl)amino](oxo)acetate
Database identifiers
- CAS
104388-84-3- PubChem CID
- 59847
- DTXSID
DTXSID30146445- Nikkaji
- J3.576.432A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
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Compound notes
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