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195320-92-4 | Benzothiazolium, 2-ethyl-3-methyl-, chloride
CAS No: 195320-92-4 Catalog No: AG007RCI MDL No:
Product Description
Catalog Number:
AG007RCI
Chemical Name:
Benzothiazolium, 2-ethyl-3-methyl-, chloride
CAS Number:
195320-92-4
Molecular Formula:
C10H12ClNS
Molecular Weight:
213.7270
IUPAC Name:
2-ethyl-3-methyl-1,3-benzothiazol-3-ium;chloride
InChI:
InChI=1S/C10H12NS.ClH/c1-3-10-11(2)8-6-4-5-7-9(8)12-10;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
OIOBDDHHGWHXOY-UHFFFAOYSA-M
SMILES:
CCc1sc2c([n+]1C)cccc2.[Cl-]
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.723g/mol
Monoisotopic Mass:
213.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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