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50774-65-7 | 3-ethyl-2,5-dimethylbenzothiazolium iodide
CAS No: 50774-65-7 Catalog No: AG00DUIU MDL No:
Product Description
Catalog Number:
AG00DUIU
Chemical Name:
3-ethyl-2,5-dimethylbenzothiazolium iodide
CAS Number:
50774-65-7
IUPAC Name:
3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C11H14NS.HI/c1-4-12-9(3)13-11-6-5-8(2)7-10(11)12;/h5-7H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:
SDRAKXLNMLPVHD-UHFFFAOYSA-M
EC Number:
256-757-4
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.204g/mol
Monoisotopic Mass:
318.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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