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102571-35-7 | Ethanaminium, 2-[[4-(acetylamino)phenyl]thio]-N,N-diethyl-N-methyl-, iodide (1:1)
CAS No: 102571-35-7 Catalog No: AG0007RN MDL No:
Product Description
Catalog Number:
AG0007RN
Chemical Name:
Ethanaminium, 2-[[4-(acetylamino)phenyl]thio]-N,N-diethyl-N-methyl-, iodide (1:1)
CAS Number:
102571-35-7
Molecular Formula:
C15H25IN2OS
Molecular Weight:
408.3413
IUPAC Name:
2-(4-acetamidophenyl)sulfanylethyl-diethyl-methylazanium;iodide
InChI:
InChI=1S/C15H24N2OS.HI/c1-5-17(4,6-2)11-12-19-15-9-7-14(8-10-15)16-13(3)18;/h7-10H,5-6,11-12H2,1-4H3;1H
InChI Key:
IDRVTRIJGYFJBL-UHFFFAOYSA-N
SMILES:
CC[N+](CCSc1ccc(cc1)NC(=O)C)(CC)C.[I-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.342g/mol
Monoisotopic Mass:
408.073g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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