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84255-38-9 | 1H-Imidazole-5-carbodithioicacid, 2-heptadecyl-
CAS No: 84255-38-9 Catalog No: AG004U6L MDL No:
Product Description
Catalog Number:
AG004U6L
Chemical Name:
1H-Imidazole-5-carbodithioicacid, 2-heptadecyl-
CAS Number:
84255-38-9
Molecular Formula:
C21H38N2S2
Molecular Weight:
382.6698
IUPAC Name:
2-heptadecyl-1H-imidazole-5-carbodithioic acid
InChI:
InChI=1S/C21H38N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19(23-20)21(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)
InChI Key:
LSLHHVSRCDKRKB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCc1ncc([nH]1)C(=S)S
EC Number:
282-587-5
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.248g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.669g/mol
Monoisotopic Mass:
382.248g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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