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2939-06-2 | 2-Methyl-isothiazolium iodide
CAS No: 2939-06-2 Catalog No: AG00C1BD MDL No:
Product Description
Catalog Number:
AG00C1BD
Chemical Name:
2-Methyl-isothiazolium iodide
CAS Number:
2939-06-2
IUPAC Name:
2-methyl-1,2-thiazol-2-ium;iodide
InChI:
InChI=1S/C4H6NS.HI/c1-5-3-2-4-6-5;/h2-4H,1H3;1H/q+1;/p-1
InChI Key:
OIUTWDMAQRYYEV-UHFFFAOYSA-M
Properties
Complexity:
46.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.927g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.063g/mol
Monoisotopic Mass:
226.927g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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