781654-19-1
3-METHYL-6-(3-NITROPHENYL)IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER
Name3-METHYL-6-(3-NITROPHENYL)IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
3-METHYL-6-(3-NITROPHENYL)IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD06009742
【English Synonyms】
【Formula】
C15 H13 N3 O4 S
【MolWeight】
331.351
【Inchi】
InChI=1S/C15H13N3O4S/c1-3-22-14(19)13-9(2)17-8-12(16-15(17)23-13)10-5-4-6-11(7-10)18(20)21/h4-8H,3H2,1-2H3
【InChIKey】
InChIKey=RTUBBRVVXLCNQC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(n2cc(nc2s1)c3cccc(c3)[N+](=O)[O-])C
【MOL File】
3-METHYL-6-(3-NITROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-6-(3-NITROPHENYL)IMIDAZO[2,1-B]THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER.cml