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Home > Imidazoles > 173352-21-1
173352-21-1 | 1H-Benzimidazole, 6-ethoxy-2-[[2-(4-morpholinyl)ethyl]thio]-
CAS No: 173352-21-1 Catalog No: AG001YTS MDL No:
Product Description
Catalog Number:
AG001YTS
Chemical Name:
1H-Benzimidazole, 6-ethoxy-2-[[2-(4-morpholinyl)ethyl]thio]-
CAS Number:
173352-21-1
Molecular Formula:
C15H21N3O2S
Molecular Weight:
307.4111
IUPAC Name:
4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]morpholine
InChI:
InChI=1S/C15H21N3O2S/c1-2-20-12-3-4-13-14(11-12)17-15(16-13)21-10-7-18-5-8-19-9-6-18/h3-4,11H,2,5-10H2,1H3,(H,16,17)
InChI Key:
WWNUCVSRRUDYPP-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)[nH]c(n2)SCCN1CCOCC1
UNII:
0F8K1X115C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.135g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.412g/mol
Monoisotopic Mass:
307.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
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