143760-04-7
1-PIPERAZINEETHANOL, 4-(4,4-DIPHENYLBUTYL)-ALPHA-((PHENYLTHIO)METHYL)-
Name1-PIPERAZINEETHANOL, 4-(4,4-DIPHENYLBUTYL)-ALPHA-((PHENYLTHIO)METHYL)-
1Identification
【Name】
1-PIPERAZINEETHANOL, 4-(4,4-DIPHENYLBUTYL)-ALPHA-((PHENYLTHIO)METHYL)-
【CAS】
【MDL】
MFCD01756232
【English Synonyms】
【Formula】
C29 H36 N2 O S
【MolWeight】
460.682
【Inchi】
InChI=1S/C29H36N2OS/c32-27(24-33-28-15-8-3-9-16-28)23-31-21-19-30(20-22-31)18-10-17-29(25-11-4-1-5-12-25)26-13-6-2-7-14-26/h1-9,11-16,27,29,32H,10,17-24H2
【InChIKey】
InChIKey=PBMZBYMERXLATQ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(CCCN2CCN(CC2)CC(CSc3ccccc3)O)c4ccccc4
【MOL File】
1-PIPERAZINEETHANOL,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINEETHANOL, 4-(4,4-DIPHENYLBUTYL)-ALPHA-((PHENYLTHIO)METHYL)-.cml