Thiopyrano(3,2-b)indole-2-carboxylic acid, 4,5-dihydro-4-oxo-
Basic information
- CAS
103253-97-0- Standard SMILES
O=C(O)c1cc(=O)c2[nH]c3ccccc3c2s1- InChIKey
LFVBYHSVMFAAIY-UHFFFAOYSA-N- Molecular formula
- C12H7NO3S
- Average molar mass
- 245.26 g/mol
- Monoisotopic mass
- 245.01466426
Names & identifiers
- Preferred name
- Thiopyrano(3,2-b)indole-2-carboxylic acid, 4,5-dihydro-4-oxo-
- IUPAC
- 4-oxo-5H-thiopyrano[3,2-b]indole-2-carboxylic acid
Names & synonyms
NSC6235454E9IZR0D3FNSC-623545103253-97-0Thiopyrano(3,2-b)indole-2-carboxylic acid, 4,5-dihydro-4-oxo-4,5-Dihydro-4-oxothiopyrano(3,2-b)indole-2-carboxylic acid103253-99-24-oxo-5H-thiopyrano[3,2-b]indole-2-carboxylic acidNSC 623545NSC 623546UNII-4E9IZR0D3FCHEMBL1973851
Show more names
Thiopyrano[3, 4,5-dihydro-4-oxo-NCI60_0069734-Oxo-4,5-dihydrothiopyrano[3,2-b]indole-2-carboxylic acid{Thiopyrano[3,2-b]indole-2-carboxylic} acid, 4,5-dihydro-4-oxo-Thiopyrano(3,2-b)indole-2-carboxylic acid, 4,9-dihydro-4-oxo-
Database identifiers
- CAS
103253-97-0、103253-99-2- PubChem CID
- 190489
- ChEMBL
CHEMBL1973851- UNII
- 4E9IZR0D3F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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