113697-42-0
ETHYL 4-METHYL-2-METHYLSULFANYL-6-PHENYLPYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-METHYL-2-METHYLSULFANYL-6-PHENYLPYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 4-METHYL-2-METHYLSULFANYL-6-PHENYLPYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD00819584
【English Synonyms】
【Formula】
C15 H16 N2 O2 S
【MolWeight】
288.369
【Inchi】
InChI=1S/C15H16N2O2S/c1-4-19-14(18)12-10(2)16-15(20-3)17-13(12)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3
【InChIKey】
InChIKey=KCZXEBFQEBTFCG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(nc(nc1c2ccccc2)SC)C
【MOL File】
ETHYL 4-METHYL-2-MET….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 4-METHYL-2-METHYLSULFANYL-6-PHENYLPYRIMIDINE-5-CARBOXYLATE.cml