80466-86-0
4-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]MORPHOLINE
Name4-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]MORPHOLINE
1Identification
【Name】
4-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]MORPHOLINE
【CAS】
【MDL】
MFCD06496380
【English Synonyms】
【Formula】
C9 H15 N3 O3 S
【MolWeight】
245.301
【Inchi】
InChI=1S/C9H15N3O3S/c1-7-9(8(2)11-10-7)16(13,14)12-3-5-15-6-4-12/h3-6H2,1-2H3,(H,10,11)
【InChIKey】
InChIKey=IBUIILNAJLHSRC-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n[nH]1)C)S(=O)(=O)N2CCOCC2
【MOL File】
4-[(3,5-DIMETHYL-1H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFONYL]MORPHOLINE.cml