28666-92-4
5,7-DIMETHYL-3-(P-TOLYL)THIAZOLO(3,2-A)PYRIMIDIN-4-IUM PERCHLORATE
Name5,7-DIMETHYL-3-(P-TOLYL)THIAZOLO(3,2-A)PYRIMIDIN-4-IUM PERCHLORATE
FormulaC15 H15 N2 S . Cl O4
1Identification
【Name】
5,7-DIMETHYL-3-(P-TOLYL)THIAZOLO(3,2-A)PYRIMIDIN-4-IUM PERCHLORATE
【CAS】
【MDL】
MFCD00856780
【English Synonyms】
【Formula】
C15 H15 N2 S . Cl O4
【MolWeight】
354.813
【Inchi】
InChI=1S/C15H15N2S.ClHO4/c1-10-4-6-13(7-5-10)14-9-18-15-16-11(2)8-12(3)17(14)15;2-1(3,4)5/h4-9H,1-3H3;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=RJRFKRHUZKCXMO-UHFFFAOYSA-M
【SMILES】
Cc1ccc(cc1)c2csc3[n+]2c(cc(n3)C)C.[O-]Cl(=O)(=O)=O
【MOL File】
5,7-DIMETHYL-3-(P-TO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,7-DIMETHYL-3-(P-TOLYL)THIAZOLO(3,2-A)PYRIMIDIN-4-IUM PERCHLORATE.cml