Basic Information | Post buying leads | Suppliers |
Name |
2-Thiomethylpyrimidine-4-carboxylic acid potassium salt |
EINECS | N/A |
CAS No. | 250726-38-6 | Density | N/A |
PSA | 91.21000 | LogP | -0.43800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5KN2O2S | Boiling Point | N/A |
Molecular Weight | 208.28 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Pyrimidinecarboxylicacid, 2-(methylthio)-, potassium salt (9CI);2-Thiomethylpyrimidine-4-carboxylic acid potassium salt;Potassium 2-(methylsulfanyl)-4-pyrimidinecarboxylate; |
The IUPAC name of 2-Thiomethylpyrimidine-4-carboxylic acid potassium salt is potassium 2-methylsulfanylpyrimidine-4-carboxylate. With the CAS registry number 250726-38-6, it is also named as 4-Pyrimidinecarboxylicacid, 2-(methylthio)-, potassium salt (1:1). In addition, its molecular formula is C6H5KN2O2S and molecular weight is 208.28.
The other characteristics of 2-Thiomethylpyrimidine-4-carboxylic acid potassium salt can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 2; (4)Exact Mass: 207.97088; (5)MonoIsotopic Mass: 207.97088; (6)Topological Polar Surface Area: 91.2; (7)Heavy Atom Count: 12; (8)Complexity: 159.
People can use the following data to convert to the molecule structure.
(1)SMILES: [K+].CSc1nc(ccn1)C([O-])=O
(2)InChI: InChI=1/C6H6N2O2S.K/c1-11-6-7-3-2-4(8-6)5(9)10;/h2-3H,1H3,(H,9,10);/q;+1/p-1
(3)InChIKey: JAUBOOHBQGVERW-REWHXWOFAL
(4)Std. InChI: InChI=1S/C6H6N2O2S.K/c1-11-6-7-3-2-4(8-6)5(9)10;/h2-3H,1H3,(H,9,10);/q;+1/p-1
(5)Std. InChIKey: JAUBOOHBQGVERW-UHFFFAOYSA-M