886497-90-1
4-(3,4-DIMETHYL-PHENYL)-2-OXO-2,3-DIHYDRO-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Name4-(3,4-DIMETHYL-PHENYL)-2-OXO-2,3-DIHYDRO-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
4-(3,4-DIMETHYL-PHENYL)-2-OXO-2,3-DIHYDRO-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD06740427
【English Synonyms】
【Formula】
C14 H15 N O3 S
【MolWeight】
277.342
【Inchi】
InChI=1S/C14H15NO3S/c1-4-18-13(16)12-11(15-14(17)19-12)10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,15,17)
【InChIKey】
InChIKey=SSJLACNQRDSCEU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c([nH]c(=O)s1)c2ccc(c(c2)C)C
【MOL File】
4-(3,4-DIMETHYL-PHEN….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
4-(3,4-DIMETHYL-PHENYL)-2-OXO-2,3-DIHYDRO-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER.cml