35556-06-0
2,8-BIS(DIMETHYLAMINOACETYL)DIBENZOTHIOPHENE DIHYDROCHLORIDE TRIHYDRATE
Name2,8-BIS(DIMETHYLAMINOACETYL)DIBENZOTHIOPHENE DIHYDROCHLORIDE TRIHYDRATE
FormulaC20 H22 N2 O2 S . 2 Cl H . 3 H2 O
1Identification
【Name】
2,8-BIS(DIMETHYLAMINOACETYL)DIBENZOTHIOPHENE DIHYDROCHLORIDE TRIHYDRATE
【CAS】
【MDL】
MFCD00150059
【English Synonyms】
【Formula】
C20 H22 N2 O2 S . 2 Cl H . 3 H2 O
【MolWeight】
481.438
【Inchi】
InChI=1S/C20H22N2O2S.2ClH.3H2O/c1-21(2)11-17(23)13-5-7-19-15(9-13)16-10-14(6-8-20(16)25-19)18(24)12-22(3)4;;;;;/h5-10H,11-12H2,1-4H3;2*1H;3*1H2
【InChIKey】
InChIKey=OEONNDGVMBVZHM-UHFFFAOYSA-N
【SMILES】
CN(C)CC(=O)c1ccc2c(c1)c3cc(ccc3s2)C(=O)CN(C)C.O.O.O.Cl.Cl
【MOL File】
2,8-BIS(DIMETHYLAMIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,8-BIS(DIMETHYLAMINOACETYL)DIBENZOTHIOPHENE DIHYDROCHLORIDE TRIHYDRATE.cml