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LS-10638,Diaethylaminothioacetyl-2,6-xylidin hydrochlorid [German],2-(

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摘 要:LS-10638,Diaethylaminothioacetyl-2,6-xylidin hydrochlorid [German],2-(Diethylamino)-2',6'-dimethylthioacetanilide hydrochloride,2',6'-Acetoxylidide, 2-(diethylamino)thio-, monohydrochloride,ACETANILIDE, 2-(DIETHYLAMINO)-2',6'-
[Synonyms]
LS-10638
Diaethylaminothioacetyl-2,6-xylidin hydrochlorid [German]
2-(Diethylamino)-2',6'-dimethylthioacetanilide hydrochloride
2',6'-Acetoxylidide, 2-(diethylamino)thio-, monohydrochloride
ACETANILIDE, 2-(DIETHYLAMINO)-2',6'-DIMETHYLTHIO-, MONOHYDROCHLORIDE
13327-13-4

[Structure]
LS-10638,Diaethylaminothioacetyl-2,6-xylidin hydrochlorid [German],2-(

[ Properties Computed from Structure]
Molecular Weight334.92822 [g/mol]
Molecular FormulaC14H23ClN2OS2
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count7
Tautomer Count2
Exact Mass334.094032
MonoIsotopic Mass334.094032
Topological Polar Surface Area33.5
Heavy Atom Count20
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: [2-[[2,6-bis(methylsulfanyl)phenyl]amino]-2-oxoethyl]-diethylazanium
chloride
Canonical SMILES: CC[NH+](CC)CC(=O)NC1=C(C=CC=C1SC)SC.[Cl-]
InChI: InChI=1/C14H22N2OS2.ClH/c1-5-16(6-2)10-13(17)15-14-11(18-3)8-7-9-12(14)
19-4;/h7-9H,5-6,10H2,1-4H3,(H,15,
17);1H/fC14H23N2OS2.Cl/h15-16H;1h/q+1;-1

 
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