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88253-64-9 | Benzothiazolium, 3-methyl-2-undecyl-, iodide
CAS No: 88253-64-9 Catalog No: AG004AKZ MDL No:
Product Description
Catalog Number:
AG004AKZ
Chemical Name:
Benzothiazolium, 3-methyl-2-undecyl-, iodide
CAS Number:
88253-64-9
Molecular Formula:
C19H30INS
Molecular Weight:
431.4177
IUPAC Name:
3-methyl-2-undecyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C19H30NS.HI/c1-3-4-5-6-7-8-9-10-11-16-19-20(2)17-14-12-13-15-18(17)21-19;/h12-15H,3-11,16H2,1-2H3;1H/q+1;/p-1
InChI Key:
LRYHNDPNWUIRNY-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCc1sc2c([n+]1C)cccc2.[I-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.42g/mol
Monoisotopic Mass:
431.114g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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