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4614-22-6 | 3-benzylbenzothiazolium
CAS No: 4614-22-6 Catalog No: AG00DOJ9 MDL No:
Product Description
Catalog Number:
AG00DOJ9
Chemical Name:
3-benzylbenzothiazolium
CAS Number:
4614-22-6
IUPAC Name:
3-benzyl-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C14H12NS/c1-2-6-12(7-3-1)10-15-11-16-14-9-5-4-8-13(14)15/h1-9,11H,10H2/q+1
InChI Key:
DUYUXBIGMDWPQH-UHFFFAOYSA-N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.069g/mol
Formal Charge:
1
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.317g/mol
Monoisotopic Mass:
226.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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