Basic information
- CAS
6337-05-9- Standard SMILES
O=C(O)c1cccc2c1C(=O)c1cccc3snc-2c13- InChIKey
BDIYAADGTTXFSW-UHFFFAOYSA-N- Molecular formula
- C15H7NO3S
- Average molar mass
- 281.29 g/mol
- Monoisotopic mass
- 281.01466426
Names & identifiers
- Preferred name
- 6-Oxo-6h-anthra[9,1-cd][1,2]thiazole-7-carboxylic acid
- IUPAC
- 8-oxo-14-thia-15-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaene-6-carboxylic acid
Names & synonyms
MLS000737008NSC399386337-05-96-oxo-6h-anthra[9,1-cd][1,2]thiazole-7-carboxylic acidCHEMBL1333486SCHEMBL14228446DTXSID30284952HMS2756O21NSC-39938SMR0003939656H-Anthra[9,1-cd]isothiazole-7-carboxylic acid, 6-oxo-
Database identifiers
- CAS
6337-05-9- PubChem CID
- 236902
- DTXSID
DTXSID30284952- ChEMBL
CHEMBL1333486
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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