852399-67-8
1-(2,6-DIETHYLPHENYL)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
Name1-(2,6-DIETHYLPHENYL)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
1Identification
【Name】
1-(2,6-DIETHYLPHENYL)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
【CAS】
【MDL】
MFCD06660536
【English Synonyms】
【Formula】
C14 H16 N2 O2 S
【MolWeight】
276.358
【Inchi】
InChI=1S/C14H16N2O2S/c1-3-9-6-5-7-10(4-2)13(9)16-12(18)8-11(17)15-14(16)19/h5-7H,3-4,8H2,1-2H3,(H,15,17,19)
【InChIKey】
InChIKey=XSUMZHIBQKJRJA-UHFFFAOYSA-N
【SMILES】
CCc1cccc(c1N2C(=O)CC(=O)NC2=S)CC
【MOL File】
1-(2,6-DIETHYLPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,6-DIETHYLPHENYL)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE.cml