33267-76-4
7-METHYL-5-PHENYLTHIAZOLO(3,2-A)PYRIMIDIN-4-IUM PERCHLORATE
Name7-METHYL-5-PHENYLTHIAZOLO(3,2-A)PYRIMIDIN-4-IUM PERCHLORATE
pro_formulaC13 H11 N2 S . Cl O4
1Identification
【Name】
7-METHYL-5-PHENYLTHIAZOLO(3,2-A)PYRIMIDIN-4-IUM PERCHLORATE
【CAS】
【MDL】
MFCD00182993
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H11 N2 S . Cl O4
【pro_molWeight】
326.759
【Inchi】
InChI=1S/C13H11N2S.ClHO4/c1-10-9-12(11-5-3-2-4-6-11)15-7-8-16-13(15)14-10;2-1(3,4)5/h2-9H,1H3;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=DFTISINXMCOWOL-UHFFFAOYSA-M
【SMILES】
Cc1cc([n+]2ccsc2n1)c3ccccc3.[O-]Cl(=O)(=O)=O
【MOL File】
7-METHYL-5-PHENYLTHI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
7-METHYL-5-PHENYLTHIAZOLO(3,2-A)PYRIMIDIN-4-IUM PERCHLORATE.cml