928160-88-7
2-(4-THIOMORPHOLINO)PYRIMIDINE-5-BORONIC ACID, PINACOL ESTER
Name2-(4-THIOMORPHOLINO)PYRIMIDINE-5-BORONIC ACID, PINACOL ESTER
1Identification
【Name】
2-(4-THIOMORPHOLINO)PYRIMIDINE-5-BORONIC ACID, PINACOL ESTER
【CAS】
【MDL】
MFCD17167301
【English Synonyms】
【Formula】
C14 H22 B N3 O2 S
【MolWeight】
307.224
【Inchi】
InChI=1S/C14H22BN3O2S/c1-13(2)14(3,4)20-15(19-13)11-9-16-12(17-10-11)18-5-7-21-8-6-18/h9-10H,5-8H2,1-4H3
【InChIKey】
InChIKey=OVOVMRSZVGAJHM-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cnc(nc2)N3CCSCC3
【MOL File】
2-(4-THIOMORPHOLINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-THIOMORPHOLINO)PYRIMIDINE-5-BORONIC ACID, PINACOL ESTER.cml