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101651-69-8 | Acetamide, N-(2,6-dichlorophenyl)-2-[[2-(diethylamino)ethyl]thio]-, hydrochloride (1:1)
CAS No: 101651-69-8 Catalog No: AG000525 MDL No:
Product Description
Catalog Number:
AG000525
Chemical Name:
Acetamide, N-(2,6-dichlorophenyl)-2-[[2-(diethylamino)ethyl]thio]-, hydrochloride (1:1)
CAS Number:
101651-69-8
Molecular Formula:
C14H21Cl3N2OS
Molecular Weight:
371.7533
IUPAC Name:
2-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylethyl-diethylazanium;chloride
InChI:
InChI=1S/C14H20Cl2N2OS.ClH/c1-3-18(4-2)8-9-20-10-13(19)17-14-11(15)6-5-7-12(14)16;/h5-7H,3-4,8-10H2,1-2H3,(H,17,19);1H
InChI Key:
BIEJESCEKNFHHW-UHFFFAOYSA-N
SMILES:
CCN(CCSCC(=O)Nc1c(Cl)cccc1Cl)CC.Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.044g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.745g/mol
Monoisotopic Mass:
370.044g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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