54237-72-8
CIMETIDINE SULPHOXIDE DIHYDROCHLORIDE
NameCIMETIDINE SULPHOXIDE DIHYDROCHLORIDE
FormulaC10 H16 N6 O S . 2 Cl H
1Identification
【Name】
CIMETIDINE SULPHOXIDE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD09025940
【English Synonyms】
【Formula】
C10 H16 N6 O S . 2 Cl H
【MolWeight】
341.265
【Inchi】
InChI=1S/C10H16N6OS.2ClH/c1-8-9(16-7-15-8)5-18(17)4-3-13-10(12-2)14-6-11;;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);2*1H
【InChIKey】
InChIKey=ZBIUWDCIPKMPML-UHFFFAOYSA-N
【SMILES】
Cc1c(nc[nH]1)CS(=O)CC/N=C(\NC)/NC#N.Cl.Cl
【MOL File】
CIMETIDINE SULPHOXID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIMETIDINE SULPHOXIDE DIHYDROCHLORIDE.cml