318248-58-7
POTASSIUM 4-(4-METHOXYSTYRYL)-2-PYRIMIDINETHIOLATE
NamePOTASSIUM 4-(4-METHOXYSTYRYL)-2-PYRIMIDINETHIOLATE
FormulaC13 H11 N2 O S . K
1Identification
【Name】
POTASSIUM 4-(4-METHOXYSTYRYL)-2-PYRIMIDINETHIOLATE
【CAS】
【MDL】
MFCD00663693
【English Synonyms】
【Formula】
C13 H11 N2 O S . K
【MolWeight】
282.407
【Inchi】
InChI=1S/C13H12N2OS.K/c1-16-12-6-3-10(4-7-12)2-5-11-8-9-14-13(17)15-11;/h2-9H,1H3,(H,14,15,17);/q;+1/p-1/b5-2+;
【InChIKey】
InChIKey=CYDKISYXGDVTOT-DPZBITMOSA-M
【SMILES】
COc1ccc(cc1)/C=C/c2ccnc(n2)[S-].[K+]
【MOL File】
POTASSIUM 4-(4-METHO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
POTASSIUM 4-(4-METHOXYSTYRYL)-2-PYRIMIDINETHIOLATE.cml