140424-00-6
3-(1,3-BENZODIOXOL-5-YL)-5-PHENYLTHIAZOLO(2,3-C)-1,2,4-TRIAZOLE
Name3-(1,3-BENZODIOXOL-5-YL)-5-PHENYLTHIAZOLO(2,3-C)-1,2,4-TRIAZOLE
1Identification
【Name】
3-(1,3-BENZODIOXOL-5-YL)-5-PHENYLTHIAZOLO(2,3-C)-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01680670
【English Synonyms】
【Formula】
C17 H11 N3 O2 S
【MolWeight】
321.359
【Inchi】
InChI=1S/C17H11N3O2S/c1-2-4-11(5-3-1)13-9-23-17-19-18-16(20(13)17)12-6-7-14-15(8-12)22-10-21-14/h1-9H,10H2
【InChIKey】
InChIKey=OEEQRKHSZJGGEI-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2csc3n2c(nn3)c4ccc5c(c4)OCO5
【MOL File】
3-(1,3-BENZODIOXOL-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(1,3-BENZODIOXOL-5-YL)-5-PHENYLTHIAZOLO(2,3-C)-1,2,4-TRIAZOLE.cml