1260248-56-3
5-[(4-OXO-4H-CHROMEN-3-YL)METHYLENE]-2-THIOXOTETRAHYDRO-4H-IMIDAZOL-4-ONE
Name5-[(4-OXO-4H-CHROMEN-3-YL)METHYLENE]-2-THIOXOTETRAHYDRO-4H-IMIDAZOL-4-ONE
1Identification
【Name】
5-[(4-OXO-4H-CHROMEN-3-YL)METHYLENE]-2-THIOXOTETRAHYDRO-4H-IMIDAZOL-4-ONE
【CAS】
【MDL】
MFCD01088646
【English Synonyms】
【Formula】
C13 H8 N2 O3 S
【MolWeight】
272.283
【Inchi】
InChI=1S/C13H8N2O3S/c16-11-7(5-9-12(17)15-13(19)14-9)6-18-10-4-2-1-3-8(10)11/h1-6H,(H2,14,15,17,19)/b9-5-
【InChIKey】
InChIKey=SVPXGZAAUDSABQ-UITAMQMPSA-N
【SMILES】
c1ccc2c(c1)c(=O)c(co2)/C=C\3/C(=O)NC(=S)N3
【MOL File】
5-[(4-OXO-4H-CHROMEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[(4-OXO-4H-CHROMEN-3-YL)METHYLENE]-2-THIOXOTETRAHYDRO-4H-IMIDAZOL-4-ONE.cml