55503-22-5
2-METHYL-4-OXO-7-PROPYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
Name2-METHYL-4-OXO-7-PROPYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
2-METHYL-4-OXO-7-PROPYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11519994
【English Synonyms】
【Formula】
C12 H13 N O3 S
【MolWeight】
251.305
【Inchi】
InChI=1S/C12H13NO3S/c1-3-4-13-6-9(12(15)16)10(14)8-5-7(2)17-11(8)13/h5-6H,3-4H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=HIFYODGJSZGISQ-UHFFFAOYSA-N
【SMILES】
CCCn1cc(c(=O)c2c1sc(c2)C)C(=O)O
【MOL File】
2-METHYL-4-OXO-7-PRO….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
2-METHYL-4-OXO-7-PROPYL-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID.cml