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105050-82-6 | Thiazolium, 3-[4-(octadecyloxy)butyl]-, iodide
CAS No: 105050-82-6 Catalog No: AG007X4Z MDL No:
Product Description
Catalog Number:
AG007X4Z
Chemical Name:
Thiazolium, 3-[4-(octadecyloxy)butyl]-, iodide
CAS Number:
105050-82-6
Molecular Formula:
C25H48INOS
Molecular Weight:
537.6242
IUPAC Name:
3-(4-octadecoxybutyl)-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C25H48NOS.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-27-23-19-17-20-26-21-24-28-25-26;/h21,24-25H,2-20,22-23H2,1H3;1H/q+1;/p-1
InChI Key:
COBJPTQRDYVMED-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCOCCCC[n+]1cscc1.[I-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
537.25g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
537.629g/mol
Monoisotopic Mass:
537.25g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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