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87910-75-6 | Benzothiazolium, 3-(phenylmethyl)-, iodide
CAS No: 87910-75-6 Catalog No: AG004HKL MDL No:
Product Description
Catalog Number:
AG004HKL
Chemical Name:
Benzothiazolium, 3-(phenylmethyl)-, iodide
CAS Number:
87910-75-6
Molecular Formula:
C14H12INS
Molecular Weight:
353.2212
IUPAC Name:
3-benzyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C14H12NS.HI/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15;/h1-9,11H,10H2;1H/q+1;/p-1
InChI Key:
CSYAIBWHRGQCEL-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)C[n+]1csc2c1cccc2.[I-]
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.974g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.221g/mol
Monoisotopic Mass:
352.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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