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120079-09-6 | Thiazolium, 4-methyl-3-octyl-, iodide (1:1)
CAS No: 120079-09-6 Catalog No: AG000Q9P MDL No:
Product Description
Catalog Number:
AG000Q9P
Chemical Name:
Thiazolium, 4-methyl-3-octyl-, iodide (1:1)
CAS Number:
120079-09-6
Molecular Formula:
C12H22INS
Molecular Weight:
339.2792
IUPAC Name:
4-methyl-3-octyl-1,3-thiazol-3-ium;iodide
InChI:
InChI=1S/C12H22NS.HI/c1-3-4-5-6-7-8-9-13-11-14-10-12(13)2;/h10-11H,3-9H2,1-2H3;1H/q+1;/p-1
InChI Key:
OFVNPHHBVJAGJB-UHFFFAOYSA-M
SMILES:
CCCCCCCC[n+]1cscc1C.[I-]
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.279g/mol
Monoisotopic Mass:
339.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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