868522-49-0
2-(4-METHYLPHENYL)-7-NITROIMIDAZO[2,1-B]BENZOTHIAZOLE
Name2-(4-METHYLPHENYL)-7-NITROIMIDAZO[2,1-B]BENZOTHIAZOLE
1Identification
【Name】
2-(4-METHYLPHENYL)-7-NITROIMIDAZO[2,1-B]BENZOTHIAZOLE
【CAS】
【MDL】
MFCD08800904
【English Synonyms】
【Formula】
C16 H11 N3 O2 S
【MolWeight】
309.348
【Inchi】
InChI=1S/C16H11N3O2S/c1-10-2-4-11(5-3-10)13-9-18-14-7-6-12(19(20)21)8-15(14)22-16(18)17-13/h2-9H,1H3
【InChIKey】
InChIKey=VBIQJOKZTOTEEW-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2cn3c4ccc(cc4sc3n2)[N+](=O)[O-]
【MOL File】
2-(4-METHYLPHENYL)-7….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
2-(4-METHYLPHENYL)-7-NITROIMIDAZO[2,1-B]BENZOTHIAZOLE.cml