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114097-22-2 | Benzothiazolium, 6-iodo-2,3-dimethyl-, iodide (1:1)
CAS No: 114097-22-2 Catalog No: AG000AK6 MDL No:
Product Description
Catalog Number:
AG000AK6
Chemical Name:
Benzothiazolium, 6-iodo-2,3-dimethyl-, iodide (1:1)
CAS Number:
114097-22-2
Molecular Formula:
C9H9I2NS
Molecular Weight:
417.0484
IUPAC Name:
6-iodo-2,3-dimethyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C9H9INS.HI/c1-6-11(2)8-4-3-7(10)5-9(8)12-6;/h3-5H,1-2H3;1H/q+1;/p-1
InChI Key:
SSQJVMLPFWJLOZ-UHFFFAOYSA-M
SMILES:
Ic1ccc2c(c1)sc([n+]2C)C.[I-]
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.855g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.047g/mol
Monoisotopic Mass:
416.855g/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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