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4329-95-7 | 3-methyl-2-sulphonatobenzothiazolium
CAS No: 4329-95-7 Catalog No: AG00DZK2 MDL No:
Product Description
Catalog Number:
AG00DZK2
Chemical Name:
3-methyl-2-sulphonatobenzothiazolium
CAS Number:
4329-95-7
IUPAC Name:
3-methyl-1,3-benzothiazol-3-ium-2-sulfonate
InChI:
InChI=1S/C8H7NO3S2/c1-9-6-4-2-3-5-7(6)13-8(9)14(10,11)12/h2-5H,1H3
InChI Key:
FIJVCJCTVIZODF-UHFFFAOYSA-N
EC Number:
224-366-8
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.268g/mol
Monoisotopic Mass:
228.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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