730950-16-0
5-AMINO-3-MORPHOLIN-4-YLMETHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER
Name5-AMINO-3-MORPHOLIN-4-YLMETHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER
1Identification
【Name】
5-AMINO-3-MORPHOLIN-4-YLMETHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER
【CAS】
【MDL】
MFCD04621538
【English Synonyms】
【Formula】
C13 H18 N2 O5 S
【MolWeight】
314.36
【Inchi】
InChI=1S/C13H18N2O5S/c1-18-12(16)9-8(7-15-3-5-20-6-4-15)10(13(17)19-2)21-11(9)14/h3-7,14H2,1-2H3
【InChIKey】
InChIKey=VELDRMMMUHREEL-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(c(sc1N)C(=O)OC)CN2CCOCC2
【MOL File】
5-AMINO-3-MORPHOLIN-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-AMINO-3-MORPHOLIN-4-YLMETHYL-THIOPHENE-2,4-DICARBOXYLIC ACID DIMETHYL ESTER.cml