885459-29-0
ETHYL 4-CHLORO-2-([(4-CHLOROPHENYL)SULFANYL]METHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 4-CHLORO-2-([(4-CHLOROPHENYL)SULFANYL]METHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
FormulaC17 H14 Cl2 N2 O2 S2
1Identification
【Name】
ETHYL 4-CHLORO-2-([(4-CHLOROPHENYL)SULFANYL]METHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD06660672
【English Synonyms】
【Formula】
C17 H14 Cl2 N2 O2 S2
【MolWeight】
413.348
【Inchi】
InChI=1S/C17H14Cl2N2O2S2/c1-3-23-17(22)14-9(2)13-15(19)20-12(21-16(13)25-14)8-24-11-6-4-10(18)5-7-11/h4-7H,3,8H2,1-2H3
【InChIKey】
InChIKey=QHSHJNYEINIWGG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c2c(s1)nc(nc2Cl)CSc3ccc(cc3)Cl)C
【MOL File】
ETHYL 4-CHLORO-2-([(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-CHLORO-2-([(4-CHLOROPHENYL)SULFANYL]METHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLATE.cml