416886-17-4
5,5-DIMETHYL-2-(((4-METHYLTHIOPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE
Name5,5-DIMETHYL-2-(((4-METHYLTHIOPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE
1Identification
【Name】
5,5-DIMETHYL-2-(((4-METHYLTHIOPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE
【CAS】
【MDL】
MFCD00245193
【English Synonyms】
【Formula】
C16 H19 N O2 S
【MolWeight】
289.397
【Inchi】
InChI=1S/C16H19NO2S/c1-16(2)8-14(18)13(15(19)9-16)10-17-11-4-6-12(20-3)7-5-11/h4-7,10,17H,8-9H2,1-3H3
【InChIKey】
InChIKey=SROIEGZSISUDLM-UHFFFAOYSA-N
【SMILES】
CC1(CC(=O)C(=CNc2ccc(cc2)SC)C(=O)C1)C
【MOL File】
5,5-DIMETHYL-2-(((4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,5-DIMETHYL-2-(((4-METHYLTHIOPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE.cml