591777-89-8
ETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE
NameETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE
1Identification
【Name】
ETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE
【CAS】
【MDL】
MFCD08166529
【English Synonyms】
【Formula】
C12 H12 N2 O2 S
【MolWeight】
248.305
【Inchi】
InChI=1S/C12H12N2O2S/c1-2-16-11(15)10-8-13-12(17-10)14-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
【InChIKey】
InChIKey=LQFGNNOXUYKOOH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(s1)Nc2ccccc2
【MOL File】
ETHYL 2-PHENYLAMINO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-PHENYLAMINO-5-THIAZOLECARBOXYLATE.cml