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Home > Imidazoles > 84255-19-6
84255-19-6 | 1H-Imidazole-5-carbodithioicacid, 4-methyl-2-undecyl-
CAS No: 84255-19-6 Catalog No: AG004YQ7 MDL No:
Product Description
Catalog Number:
AG004YQ7
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 4-methyl-2-undecyl-
CAS Number:
84255-19-6
Molecular Formula:
C16H28N2S2
Molecular Weight:
312.5369
IUPAC Name:
5-methyl-2-undecyl-1H-imidazole-4-carbodithioic acid
InChI:
InChI=1S/C16H28N2S2/c1-3-4-5-6-7-8-9-10-11-12-14-17-13(2)15(18-14)16(19)20/h3-12H2,1-2H3,(H,17,18)(H,19,20)
InChI Key:
PAEDOSGPFZUHAK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1nc(c([nH]1)C(=S)S)C
EC Number:
282-566-0
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.169g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.534g/mol
Monoisotopic Mass:
312.169g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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