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63149-03-1 | 2-methyl-3-(3-sulphonatobutyl)benzothiazolium
CAS No: 63149-03-1 Catalog No: AG00F5T3 MDL No:
Product Description
Catalog Number:
AG00F5T3
Chemical Name:
2-methyl-3-(3-sulphonatobutyl)benzothiazolium
CAS Number:
63149-03-1
IUPAC Name:
4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate
InChI:
InChI=1S/C12H15NO3S2/c1-9(18(14,15)16)7-8-13-10(2)17-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3
InChI Key:
IMJOWVNDQJOJND-UHFFFAOYSA-N
EC Number:
263-951-2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.376g/mol
Monoisotopic Mass:
285.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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