127876-87-3
1-(2-(PHENYLTHIO)PHENYL)-2-PROPYLAMINE S-OXIDE MALEATE
Name1-(2-(PHENYLTHIO)PHENYL)-2-PROPYLAMINE S-OXIDE MALEATE
FormulaC15 H17 N O S . C4 H4 O4
1Identification
【Name】
1-(2-(PHENYLTHIO)PHENYL)-2-PROPYLAMINE S-OXIDE MALEATE
【CAS】
【MDL】
MFCD01657231
【English Synonyms】
【Formula】
C15 H17 N O S . C4 H4 O4
【MolWeight】
375.443
【Inchi】
InChI=1S/C15H17NOS.C4H4O4/c1-12(16)11-13-7-5-6-10-15(13)18(17)14-8-3-2-4-9-14;5-3(6)1-2-4(7)8/h2-10,12H,11,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
【InChIKey】
InChIKey=MTWVGMPPWFJEAH-BTJKTKAUSA-N
【SMILES】
CC(Cc1ccccc1S(=O)c2ccccc2)N.C(=C\C(=O)O)\C(=O)O
【MOL File】
1-(2-(PHENYLTHIO)PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(PHENYLTHIO)PHENYL)-2-PROPYLAMINE S-OXIDE MALEATE.cml