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Home > Imidazoles > 144850-34-0
144850-34-0 | 2H-Imidazole-4-octanoicacid, 5-octyl-2-thioxo-
CAS No: 144850-34-0 Catalog No: AG007Z00 MDL No:
Product Description
Catalog Number:
AG007Z00
Chemical Name:
2H-Imidazole-4-octanoicacid, 5-octyl-2-thioxo-
CAS Number:
144850-34-0
Molecular Formula:
C19H32N2O2S
Molecular Weight:
352.5346
IUPAC Name:
8-(5-octyl-2-sulfanylideneimidazol-4-yl)octanoic acid
InChI:
InChI=1S/C19H32N2O2S/c1-2-3-4-5-7-10-13-16-17(21-19(24)20-16)14-11-8-6-9-12-15-18(22)23/h2-15H2,1H3,(H,22,23)
InChI Key:
UQPRREXQVFENGF-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1=NC(=S)N=C1CCCCCCCC(=O)O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.218g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.537g/mol
Monoisotopic Mass:
352.218g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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