15400-47-2
ETHYL 2-(METHYLSULFANYL)-4-(PHENYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
NameETHYL 2-(METHYLSULFANYL)-4-(PHENYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
1Identification
【Name】
ETHYL 2-(METHYLSULFANYL)-4-(PHENYLSULFANYL)-5-PYRIMIDINECARBOXYLATE
【CAS】
【MDL】
MFCD01444134
【English Synonyms】
【Formula】
C14 H14 N2 O2 S2
【MolWeight】
306.409
【Inchi】
InChI=1S/C14H14N2O2S2/c1-3-18-13(17)11-9-15-14(19-2)16-12(11)20-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
【InChIKey】
InChIKey=SEBXWBXFUJLMHT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1Sc2ccccc2)SC
【MOL File】
ETHYL 2-(METHYLSULFA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-(METHYLSULFANYL)-4-(PHENYLSULFANYL)-5-PYRIMIDINECARBOXYLATE.cml