769151-92-0
4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
FormulaC22 H18 Br N3 O2 S
1Identification
【Name】
4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05153611
【English Synonyms】
【Formula】
C22 H18 Br N3 O2 S
【MolWeight】
468.373
【Inchi】
InChI=1S/C22H18BrN3O2S/c1-15-6-5-9-19(12-15)25-22(29)26-24-14-17-13-18(23)10-11-20(17)28-21(27)16-7-3-2-4-8-16/h2-14H,1H3,(H2,25,26,29)/b24-14+
【InChIKey】
InChIKey=OFACPZIPYPFQNY-ZVHZXABRSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2cc(ccc2OC(=O)c3ccccc3)Br
【MOL File】
4-BROMO-2-(2-(3-TOLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-2-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml