923125-44-4
5-(MORPHOLIN-4-YL)-4-(OXOLAN-2-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(MORPHOLIN-4-YL)-4-(OXOLAN-2-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
pro_formulaC11 H18 N4 O2 S
1Identification
【Name】
5-(MORPHOLIN-4-YL)-4-(OXOLAN-2-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD08691154
【EnglishSynonyms】
【pro_formula】
C11 H18 N4 O2 S
【pro_molWeight】
270.355
【Inchi】
InChI=1S/C11H18N4O2S/c18-11-13-12-10(14-3-6-16-7-4-14)15(11)8-9-2-1-5-17-9/h9H,1-8H2,(H,13,18)
【InChIKey】
InChIKey=PPRYRQSBWFHMST-UHFFFAOYSA-N
【SMILES】
C1CC(OC1)Cn2c(nnc2S)N3CCOCC3
【MOL File】
5-(MORPHOLIN-4-YL)-4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-(MORPHOLIN-4-YL)-4-(OXOLAN-2-YLMETHYL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml