769150-18-7
2-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
Name2-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
FormulaC16 H14 Br N3 O3 S
1Identification
【Name】
2-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153988
【English Synonyms】
【Formula】
C16 H14 Br N3 O3 S
【MolWeight】
408.275
【Inchi】
InChI=1S/C16H14BrN3O3S/c1-22-13-5-2-10(3-6-13)15(21)23-14-7-4-12(17)8-11(14)9-19-20-16(18)24/h2-9H,1H3,(H3,18,20,24)/b19-9+
【InChIKey】
InChIKey=NGBVZCYUFDSVOR-DJKKODMXSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc(cc2/C=N/NC(=S)N)Br
【MOL File】
2-(2-(AMINOCARBOTHIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE.cml