140424-02-8
3-(1,3-BENZODIOXOL-5-YL)-5-(4-BROMOPHENYL)THIAZOLO(2,3-C)-1,2,4-TRIAZOLE
Name3-(1,3-BENZODIOXOL-5-YL)-5-(4-BROMOPHENYL)THIAZOLO(2,3-C)-1,2,4-TRIAZOLE
FormulaC17 H10 Br N3 O2 S
1Identification
【Name】
3-(1,3-BENZODIOXOL-5-YL)-5-(4-BROMOPHENYL)THIAZOLO(2,3-C)-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01680664
【English Synonyms】
【Formula】
C17 H10 Br N3 O2 S
【MolWeight】
400.255
【Inchi】
InChI=1S/C17H10BrN3O2S/c18-12-4-1-10(2-5-12)13-8-24-17-20-19-16(21(13)17)11-3-6-14-15(7-11)23-9-22-14/h1-8H,9H2
【InChIKey】
InChIKey=WKZADNCMPQZEDO-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2csc3n2c(nn3)c4ccc5c(c4)OCO5)Br
【MOL File】
3-(1,3-BENZODIOXOL-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(1,3-BENZODIOXOL-5-YL)-5-(4-BROMOPHENYL)THIAZOLO(2,3-C)-1,2,4-TRIAZOLE.cml