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130726-68-0 | 1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-
CAS No: 130726-68-0 Catalog No: AG000UVP MDL No:
Product Description
Catalog Number:
AG000UVP
Chemical Name:
1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-
CAS Number:
130726-68-0
Molecular Formula:
C17H22N2OS
Molecular Weight:
302.4344
IUPAC Name:
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
InChI:
InChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+
InChI Key:
VWOIKFDZQQLJBJ-DTQAZKPQSA-N
SMILES:
CCCCCOc1ccccc1/C(=C\SC)/n1cncc1
UNII:
KVL61ZF9UO
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
302.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.436g/mol
Monoisotopic Mass:
302.145g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Increased prevalence of catecholamine excess and phaeochromocytomas in a well-defined Dutch population with SDHD-linked head and neck paragangliomas. | European journal of endocrinology 20050101 |
| [Fungicidal activity of liranaftate against Trichophyton rubrum]. | Nihon Ishinkin Gakkai zasshi = Japanese journal of medical mycology 20020101 |
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