123427-18-9
1,3-BIS(4-MORPHOLINYL-6-METHYLPYRIMIDIN-2-YL)-1,3-PROPANEDITHIOL
Name1,3-BIS(4-MORPHOLINYL-6-METHYLPYRIMIDIN-2-YL)-1,3-PROPANEDITHIOL
1Identification
【Name】
1,3-BIS(4-MORPHOLINYL-6-METHYLPYRIMIDIN-2-YL)-1,3-PROPANEDITHIOL
【CAS】
【MDL】
MFCD01713529
【English Synonyms】
【Formula】
C21 H30 N6 O2 S2
【MolWeight】
462.64
【Inchi】
InChI=1S/C21H30N6O2S2/c1-14-11-18(26-3-7-28-8-4-26)24-20(22-14)16(30)13-17(31)21-23-15(2)12-19(25-21)27-5-9-29-10-6-27/h11-12,16-17,30-31H,3-10,13H2,1-2H3
【InChIKey】
InChIKey=PLDHURWOZJGIBP-UHFFFAOYSA-N
【SMILES】
Cc1cc(nc(n1)C(CC(c2nc(cc(n2)N3CCOCC3)C)S)S)N4CCOCC4
【MOL File】
1,3-BIS(4-MORPHOLINY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-BIS(4-MORPHOLINYL-6-METHYLPYRIMIDIN-2-YL)-1,3-PROPANEDITHIOL.cml