106636-50-4
2,3DIHYDRO-5-NITRO-6-P-TOLYLIMIDAZO(2,1-B)THIAZOLE
Name2,3DIHYDRO-5-NITRO-6-P-TOLYLIMIDAZO(2,1-B)THIAZOLE
1Identification
【Name】
2,3DIHYDRO-5-NITRO-6-P-TOLYLIMIDAZO(2,1-B)THIAZOLE
【CAS】
【MDL】
MFCD01720192
【English Synonyms】
【Formula】
C12 H11 N3 O2 S
【MolWeight】
261.304
【Inchi】
InChI=1S/C12H11N3O2S/c1-8-2-4-9(5-3-8)10-11(15(16)17)14-6-7-18-12(14)13-10/h2-5H,6-7H2,1H3
【InChIKey】
InChIKey=ZJKAYMMROJSMCP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2c(n3c(n2)SCC3)[N+](=O)[O-]
【MOL File】
2,3DIHYDRO-5-NITRO-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3DIHYDRO-5-NITRO-6-P-TOLYLIMIDAZO(2,1-B)THIAZOLE.cml