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Home > Imidazoles > 141187-72-6
141187-72-6 | 1,4-Benzenediol, 2-(dodecylthio)-5-[(6-nitro-1H-benzimidazol-2-yl)thio]-
CAS No: 141187-72-6 Catalog No: AG001G1I MDL No:
Product Description
Catalog Number:
AG001G1I
Chemical Name:
1,4-Benzenediol, 2-(dodecylthio)-5-[(6-nitro-1H-benzimidazol-2-yl)thio]-
CAS Number:
141187-72-6
Molecular Formula:
C25H33N3O4S2
Molecular Weight:
503.6772
IUPAC Name:
2-dodecylsulfanyl-5-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]benzene-1,4-diol
InChI:
InChI=1S/C25H33N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-14-33-23-16-22(30)24(17-21(23)29)34-25-26-19-13-12-18(28(31)32)15-20(19)27-25/h12-13,15-17,29-30H,2-11,14H2,1H3,(H,26,27)
InChI Key:
RSKFFADJTNMGQO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSc1cc(O)c(cc1O)Sc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
503.191g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
503.676g/mol
Monoisotopic Mass:
503.191g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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