1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid
2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Also Known As: EU-4881|EU 4881|1,2,3,4 Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid|2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid|1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(3-mercapto-1-oxopropyl)-|2-(3-sulfanylpropanoyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid|1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid
| Molecular Formula | C13H15NO3S |
|---|---|
| Molecular Weight | 265.07727 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.07727 |
| Monoisotopic Mass | 265.07727 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 92932-75-7 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C(=O)O)C(=O)CCS |
| InChIKey | ARBBMPDGVLNWHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid (CAS 92932-75-7), with molecular formula C13H15NO3S and molecular weight 265.07727 g/mol. IUPAC: 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid.
1,2,3,4-Tetrahydro-2-(3-mercapto-1-oxopropyl)-1-isoquinolinecarboxylic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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