200,000+ products from a single source!
sales@angenechem.com
56405-37-9 | 2-METHYL-3-SULFOPROPYL BENZOTHIAZOLIUM INNER SALT
CAS No: 56405-37-9 Catalog No: AG00EB1C MDL No:
Product Description
Catalog Number:
AG00EB1C
Chemical Name:
2-METHYL-3-SULFOPROPYL BENZOTHIAZOLIUM INNER SALT
CAS Number:
56405-37-9
IUPAC Name:
3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
InChI:
InChI=1S/C11H13NO3S2/c1-9-12(7-4-8-17(13,14)15)10-5-2-3-6-11(10)16-9/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
XSEOLEIVLCYZQR-UHFFFAOYSA-N
EC Number:
260-157-8
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.349g/mol
Monoisotopic Mass:
271.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.