4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid
4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid
Also Known As: 4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid|4-Amino-5-carboxy-2-ethylmercaptopyrimidine|ACMC-20agvl|4-Amino-2-ethylthiopyrimidine-5-carboxylic acid|4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid|5-Pyrimidinecarboxylic acid, 4-amino-2-(ethylthio)-|KS-00001DMI|CS-B0231|4898AC|QC-5542|4-amino-2-(ethylsulfanyl)pyrimidine-5-carboxylic acid|4-AMINO-5-CARBOXY-2-ETHYL-MERCAPTOPYRIMIDINE|4Amino-2-(ethylthio)pyrimidine-5-carboxylic acid|BB 0248371|4-amino-2-ethylsulfanyl-pyrimidine-5-carboxylic acid|5-Pyrimidinecarboxylicacid, 4-amino-2-(ethylthio)-|2-Aethylmercapto-4-amino-pyrimidin-5-carbonsaeure|4-Amino-2-(ethylthio)pyrimidine-5-carboxylicacid
| Molecular Formula | C7H9N3O2S |
|---|---|
| Molecular Weight | 199.04155 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.04155 |
| Monoisotopic Mass | 199.04155 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 89853-87-2 |
|---|---|
| SMILES | CCSC1=NC=C(C(=N1)N)C(=O)O |
| InChIKey | TYAKXNHFMATCHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-2-(ethylthio)pyrimidine-5-carboxylic acid (CAS 89853-87-2), with molecular formula C7H9N3O2S and molecular weight 199.04155 g/mol. IUPAC: 4-amino-2-ethylsulfanylpyrimidine-5-carboxylic acid.