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42846-15-1 | 3-Ethyl-2-methylbenzothiazol-3-ium
CAS No: 42846-15-1 Catalog No: AG00CUBA MDL No:
Product Description
Catalog Number:
AG00CUBA
Chemical Name:
3-Ethyl-2-methylbenzothiazol-3-ium
CAS Number:
42846-15-1
IUPAC Name:
3-ethyl-2-methyl-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C10H12NS/c1-3-11-8(2)12-10-7-5-4-6-9(10)11/h4-7H,3H2,1-2H3/q+1
InChI Key:
OGRZMXBJGTZUGN-UHFFFAOYSA-N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.069g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.273g/mol
Monoisotopic Mass:
178.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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