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6112-39-6 | 3-methylbenzothiazolium toluene-4-sulphonate
CAS No: 6112-39-6 Catalog No: AG00ECM1 MDL No:
Product Description
Catalog Number:
AG00ECM1
Chemical Name:
3-methylbenzothiazolium toluene-4-sulphonate
CAS Number:
6112-39-6
IUPAC Name:
4-methylbenzenesulfonate;3-methyl-1,3-benzothiazol-3-ium
InChI:
InChI=1S/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
VSLLSCGWLKZXJL-UHFFFAOYSA-M
EC Number:
228-075-7
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.049g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.409g/mol
Monoisotopic Mass:
321.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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