200,000+ products from a single source!
sales@angenechem.com
55526-95-9 | 2-methyl-3-(4-sulphonatobutyl)benzothiazolium
CAS No: 55526-95-9 Catalog No: AG00E5DE MDL No:
Product Description
Catalog Number:
AG00E5DE
Chemical Name:
2-methyl-3-(4-sulphonatobutyl)benzothiazolium
CAS Number:
55526-95-9
IUPAC Name:
4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate
InChI:
InChI=1S/C12H15NO3S2/c1-10-13(8-4-5-9-18(14,15)16)11-6-2-3-7-12(11)17-10/h2-3,6-7H,4-5,8-9H2,1H3
InChI Key:
XPDBNOKCSYBVMY-UHFFFAOYSA-N
EC Number:
259-698-2
Properties
Complexity:
353
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:
4
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
© 2019 Angene International Limited. All rights Reserved.