769148-25-6
2-METHYL-3-PHENYLACRYLALDEHYDE N-ETHYLTHIOSEMICARBAZONE
Name2-METHYL-3-PHENYLACRYLALDEHYDE N-ETHYLTHIOSEMICARBAZONE
1Identification
【Name】
2-METHYL-3-PHENYLACRYLALDEHYDE N-ETHYLTHIOSEMICARBAZONE
【CAS】
【MDL】
MFCD05154182
【English Synonyms】
【Formula】
C13 H17 N3 S
【MolWeight】
247.364
【Inchi】
InChI=1S/C13H17N3S/c1-3-14-13(17)16-15-10-11(2)9-12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H2,14,16,17)/b11-9-,15-10+
【InChIKey】
InChIKey=OCBCWEHFFYEJSK-LFHBGGBDSA-N
【SMILES】
CCNC(=S)N/N=C/C(=C\c1ccccc1)/C
【MOL File】
2-METHYL-3-PHENYLACR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-METHYL-3-PHENYLACRYLALDEHYDE N-ETHYLTHIOSEMICARBAZONE.cml