587851-59-0
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-(3-AMINO-4-NITROPHENYL)-3-CHLORO-6-ETHYL-
NameBENZO[B]THIOPHENE-2-CARBOXAMIDE, N-(3-AMINO-4-NITROPHENYL)-3-CHLORO-6-ETHYL-
FormulaC17 H14 Cl N3 O3 S
1Identification
【Name】
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-(3-AMINO-4-NITROPHENYL)-3-CHLORO-6-ETHYL-
【CAS】
【MDL】
MFCD03942617
【English Synonyms】
【Formula】
C17 H14 Cl N3 O3 S
【MolWeight】
375.835
【Inchi】
InChI=1S/C17H14ClN3O3S/c1-2-9-3-5-11-14(7-9)25-16(15(11)18)17(22)20-10-4-6-13(21(23)24)12(19)8-10/h3-8H,2,19H2,1H3,(H,20,22)
【InChIKey】
InChIKey=IFQSBIYNAHLTHD-UHFFFAOYSA-N
【SMILES】
CCc1ccc2c(c1)sc(c2Cl)C(=O)Nc3ccc(c(c3)N)[N+](=O)[O-]
【MOL File】
BENZO[B]THIOPHENE-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZO[B]THIOPHENE-2-CARBOXAMIDE, N-(3-AMINO-4-NITROPHENYL)-3-CHLORO-6-ETHYL-.cml