767320-49-0
4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 3,4-DIMETHOXYBENZOATE
Name4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154454
【English Synonyms】
【Formula】
C24 H23 N3 O5 S
【MolWeight】
465.528
【Inchi】
InChI=1S/C24H23N3O5S/c1-29-19-11-7-18(8-12-19)26-24(33)27-25-15-16-4-9-20(10-5-16)32-23(28)17-6-13-21(30-2)22(14-17)31-3/h4-15H,1-3H3,(H2,26,27,33)/b25-15+
【InChIKey】
InChIKey=OQMXISWVYXYHQT-MFKUBSTISA-N
【SMILES】
COc1ccc(cc1)NC(=S)N/N=C/c2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC
【MOL File】
4-(2-((4-METHOXYANIL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((4-METHOXYANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 3,4-DIMETHOXYBENZOATE.cml