923942-34-1
METHYL 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYLTHIAZOLE-5-CARBOXYLATE
NameMETHYL 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYLTHIAZOLE-5-CARBOXYLATE
1Identification
【Name】
METHYL 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYLTHIAZOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD20488021
【English Synonyms】
【Formula】
C17 H18 N2 O3 S
【MolWeight】
330.406
【Inchi】
InChI=1S/C17H18N2O3S/c1-10(2)9-22-14-6-5-12(7-13(14)8-18)16-19-11(3)15(23-16)17(20)21-4/h5-7,10H,9H2,1-4H3
【InChIKey】
InChIKey=LCAIQMGTEPBUGN-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)OC
【MOL File】
METHYL 2-[3-CYANO-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-[3-CYANO-4-(2-METHYLPROPOXY)PHENYL]-4-METHYLTHIAZOLE-5-CARBOXYLATE.cml