4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile
化学名:4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile
CAS番号.89487-99-0
英語名:4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile
CBNumberCB82129408
MFC6H5N3OS
MW167.19
MOL File89487-99-0.mol
4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile物理性質
融点 | 222-224℃ (isopropanol ) |
比重(密度) | 1.42±0.1 g/cm3 (20 ºC 760 Torr) |
貯蔵温度 | Sealed in dry,Room Temperature |
酸解離定数(Pka) | 5.38±0.50(Predicted) |
InChI | InChI=1S/C6H5N3OS/c1-11-6-8-3-4(2-7)5(10)9-6/h3H,1H3,(H,8,9,10) |
InChIKey | XTLKENCFQIAAJK-UHFFFAOYSA-N |
SMILES | C1(SC)NC(=O)C(C#N)=CN=1 |
Rフレーズ | 20/21/22-36/37/38 |
Sフレーズ | 22-26-36/37/39 |
RIDADR | 3439 |
HSコード | 29335990 |