650630-68-5
1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-PHENYLTHIOSEMICARBAZIDE
Name1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-PHENYLTHIOSEMICARBAZIDE
1Identification
【Name】
1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-PHENYLTHIOSEMICARBAZIDE
【CAS】
【MDL】
MFCD00171087
【English Synonyms】
【Formula】
C17 H19 N3 O2 S
【MolWeight】
329.422
【Inchi】
InChI=1S/C17H19N3O2S/c1-12-8-9-15(13(2)10-12)22-11-16(21)19-20-17(23)18-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21)(H2,18,20,23)
【InChIKey】
InChIKey=AYSDGMLJMFWPBW-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)OCC(=O)NNC(=S)Nc2ccccc2
【MOL File】
1-(2-(2,4-DIMETHYLPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(2,4-DIMETHYLPHENOXY)ACETYL)-4-PHENYLTHIOSEMICARBAZIDE.cml