Basic information
- CAS
55503-20-3- Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(C)sc21- InChIKey
JLLCZRLPPPCXFR-UHFFFAOYSA-N- Molecular formula
- C11H11NO3S
- Average molar mass
- 237.28 g/mol
- Monoisotopic mass
- 237.04596439
Overview
structure given in first source
Names & identifiers
- Preferred name
- 7-Ethyl-2-methyl-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxylic acid
- IUPAC
- 7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
- English name
- 7-ethyl-2-methyl-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxylic acid
- Molecular formula
- C11H11NO3S
- Molecular weight
- 237.27
Names & synonyms
Emodhtp55503-20-37-Ethyl-2-methyl-4-oxo-4,7-dihydrothieno(2,3-b)pyridine-5-carboxylic acidDTXSID402040857-ETHYL-2-METHYL-4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACIDRefChem:106067DTXCID401265767-ethyl-4,7-dihydro-2-methyl-4-oxothieno(2,3-b)pyridine-5-carboxylic acid7-ethyl-4,7-dihydro-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acidSCHEMBL11273643JLLCZRLPPPCXFR-UHFFFAOYSA-NDB-318314
Show more names
4,7-Dihydro-7-ethyl-2-methyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acidThieno[2,3-b]pyridine-5-carboxylic acid, 7-ethyl-4,7-dihydro-2-methyl-4-oxo-
Thieno(2,3-b)pyridine-5-carboxylic acid, 7-ethyl-4,7-dihydro-2-methyl-4-oxo-
Database identifiers
- CAS
55503-20-3
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 366
Related reactions
11 records
Compound notes
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