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60126-29-6 | 2-METHYL-3-PROPYLBENZOTHIAZOLIUM IODIDE
CAS No: 60126-29-6 Catalog No: AG00EKEF MDL No:
Product Description
Catalog Number:
AG00EKEF
Chemical Name:
2-METHYL-3-PROPYLBENZOTHIAZOLIUM IODIDE
CAS Number:
60126-29-6
IUPAC Name:
2-methyl-3-propyl-1,3-benzothiazol-3-ium;iodide
InChI:
InChI=1S/C11H14NS.HI/c1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;/h4-7H,3,8H2,1-2H3;1H/q+1;/p-1
InChI Key:
UGRAXKCTCJHEGH-UHFFFAOYSA-M
Properties
Complexity:
172
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:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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