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50818-84-3 | 3-ethyl-2-sulphonatobenzothiazolium
CAS No: 50818-84-3 Catalog No: AG00DTQZ MDL No:
Product Description
Catalog Number:
AG00DTQZ
Chemical Name:
3-ethyl-2-sulphonatobenzothiazolium
CAS Number:
50818-84-3
IUPAC Name:
3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate
InChI:
InChI=1S/C9H9NO3S2/c1-2-10-7-5-3-4-6-8(7)14-9(10)15(11,12)13/h3-6H,2H2,1H3
InChI Key:
TXEMEBFCLLLUKO-UHFFFAOYSA-N
EC Number:
256-789-9
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.295g/mol
Monoisotopic Mass:
243.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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