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84824-79-3 | 1H-Imidazole-5-carbodithioicacid, 2-undecyl-
CAS No: 84824-79-3 Catalog No: AG004QTY MDL No:
Product Description
Catalog Number:
AG004QTY
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 2-undecyl-
CAS Number:
84824-79-3
Molecular Formula:
C15H26N2S2
Molecular Weight:
298.5103
IUPAC Name:
2-undecyl-1H-imidazole-5-carbodithioic acid
InChI:
InChI=1S/C15H26N2S2/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(17-14)15(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)
InChI Key:
JLPZJNSJPMYRJA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1ncc([nH]1)C(=S)S
EC Number:
284-230-9
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.507g/mol
Monoisotopic Mass:
298.154g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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