1251033-78-9
METHYL 7-CYCLOPROPYL-5-OXO-4,5-DIHYDROTHIENO[3,2-B]PYRIDINE-3-CARBOXYLATE
NameMETHYL 7-CYCLOPROPYL-5-OXO-4,5-DIHYDROTHIENO[3,2-B]PYRIDINE-3-CARBOXYLATE
1Identification
【Name】
METHYL 7-CYCLOPROPYL-5-OXO-4,5-DIHYDROTHIENO[3,2-B]PYRIDINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD16876198
【English Synonyms】
【Formula】
C12 H11 N O3 S
【MolWeight】
249.289
【Inchi】
InChI=1S/C12H11NO3S/c1-16-12(15)8-5-17-11-7(6-2-3-6)4-9(14)13-10(8)11/h4-6H,2-3H2,1H3,(H,13,14)
【InChIKey】
InChIKey=ZDEGBNGGSXBWTN-UHFFFAOYSA-N
【SMILES】
COC(=O)c1csc2c1[nH]c(=O)cc2C3CC3
【MOL File】
METHYL 7-CYCLOPROPYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 7-CYCLOPROPYL-5-OXO-4,5-DIHYDROTHIENO[3,2-B]PYRIDINE-3-CARBOXYLATE.cml