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Home > Imidazoles > 111203-86-2
111203-86-2 | Benzamide, 4-(2,3-dihydro-2-thioxo-1H-imidazol-1-yl)-N-(2-ethylhexyl)-
CAS No: 111203-86-2 Catalog No: AG0082MY MDL No:
Product Description
Catalog Number:
AG0082MY
Chemical Name:
Benzamide, 4-(2,3-dihydro-2-thioxo-1H-imidazol-1-yl)-N-(2-ethylhexyl)-
CAS Number:
111203-86-2
Molecular Formula:
C18H25N3OS
Molecular Weight:
331.4756
IUPAC Name:
N-(2-ethylhexyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
InChI:
InChI=1S/C18H25N3OS/c1-3-5-6-14(4-2)13-20-17(22)15-7-9-16(10-8-15)21-12-11-19-18(21)23/h7-12,14H,3-6,13H2,1-2H3,(H,19,23)(H,20,22)
InChI Key:
BLDFLVWBUJRASC-UHFFFAOYSA-N
SMILES:
CCCCC(CNC(=O)c1ccc(cc1)n1cc[nH]c1=S)CC
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.172g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.478g/mol
Monoisotopic Mass:
331.172g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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