1049986-31-3
BENZENAMINE, 2-METHYL-N-[4-(4-NITROPHENYL)-3-(2-PROPEN-1-YL)-2(3H)-THIAZOLYLIDENE]
NameBENZENAMINE, 2-METHYL-N-[4-(4-NITROPHENYL)-3-(2-PROPEN-1-YL)-2(3H)-THIAZOLYLIDENE]
1Identification
【Name】
BENZENAMINE, 2-METHYL-N-[4-(4-NITROPHENYL)-3-(2-PROPEN-1-YL)-2(3H)-THIAZOLYLIDENE]
【CAS】
【MDL】
MFCD00857021
【English Synonyms】
【Formula】
C19 H17 N3 O2 S
【MolWeight】
351.428
【Inchi】
InChI=1S/C19H17N3O2S/c1-3-12-21-18(15-8-10-16(11-9-15)22(23)24)13-25-19(21)20-17-7-5-4-6-14(17)2/h3-11,13H,1,12H2,2H3/b20-19+
【InChIKey】
InChIKey=GHVHEWNPVITEDZ-FMQUCBEESA-N
【SMILES】
Cc1ccccc1/N=c/2\n(c(cs2)c3ccc(cc3)[N+](=O)[O-])CC=C
【MOL File】
BENZENAMINE, 2-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZENAMINE, 2-METHYL-N-[4-(4-NITROPHENYL)-3-(2-PROPEN-1-YL)-2(3H)-THIAZOLYLIDENE].cml