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Home Other Building Blocks Pyridinium, 1-(2-benzothiazolylmethyl)-, iodide

Pyridinium, 1-(2-benzothiazolylmethyl)-, iodide

CAS No.:
80352-43-8
Catalog Number:
AG008MX5
Molecular Formula:
C13H11IN2S
Molecular Weight:
354.2093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
1 week
United States
$350
- +
Product Description
Catalog Number:
AG008MX5
Chemical Name:
Pyridinium, 1-(2-benzothiazolylmethyl)-, iodide
CAS Number:
80352-43-8
Molecular Formula:
C13H11IN2S
Molecular Weight:
354.2093
MDL Number:
MFCD01073502
IUPAC Name:
2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole;iodide
InChI:
InChI=1S/C13H11N2S.HI/c1-4-8-15(9-5-1)10-13-14-11-6-2-3-7-12(11)16-13;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
XTRQNLNPDXJHHM-UHFFFAOYSA-M
SMILES:
c1cc[n+](cc1)Cc1nc2c(s1)cccc2.[I-]
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.969g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.209g/mol
Monoisotopic Mass:
353.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties