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5284-73-1 | methyl 3-methylbenzothiazolium sulphate
CAS No: 5284-73-1 Catalog No: AG00E0P7 MDL No:
Product Description
Catalog Number:
AG00E0P7
Chemical Name:
methyl 3-methylbenzothiazolium sulphate
CAS Number:
5284-73-1
IUPAC Name:
3-methyl-1,3-benzothiazol-3-ium;methyl sulfate
InChI:
InChI=1S/C8H8NS.CH4O4S/c1-9-6-10-8-5-3-2-4-7(8)9;1-5-6(2,3)4/h2-6H,1H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
QPTHLIIYYVUGSV-UHFFFAOYSA-M
EC Number:
226-115-8
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.31g/mol
Monoisotopic Mass:
261.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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