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74292-35-6 | Pyridinium, 5-(2-benzothiazolyl)-1,2-dimethyl-, iodide
CAS No: 74292-35-6 Catalog No: AG005MID MDL No:
Product Description
Catalog Number:
AG005MID
Chemical Name:
Pyridinium, 5-(2-benzothiazolyl)-1,2-dimethyl-, iodide
CAS Number:
74292-35-6
Molecular Formula:
C14H13IN2S
Molecular Weight:
368.2359
IUPAC Name:
2-(1,6-dimethylpyridin-1-ium-3-yl)-1,3-benzothiazole;iodide
InChI:
InChI=1S/C14H13N2S.HI/c1-10-7-8-11(9-16(10)2)14-15-12-5-3-4-6-13(12)17-14;/h3-9H,1-2H3;1H/q+1;/p-1
InChI Key:
IUHZSVDNTWMNFJ-UHFFFAOYSA-M
SMILES:
C[n+]1cc(ccc1C)c1nc2c(s1)cccc2.[I-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.984g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.236g/mol
Monoisotopic Mass:
367.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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