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42952-29-4 | 1-ETHYL-2-METHYLNAPHTHO[1,2-D]THIAZOLIUM P-TOLUENESULFONATE
CAS No: 42952-29-4 Catalog No: AG00CTYN MDL No:
Product Description
Catalog Number:
AG00CTYN
Chemical Name:
1-ETHYL-2-METHYLNAPHTHO[1,2-D]THIAZOLIUM P-TOLUENESULFONATE
CAS Number:
42952-29-4
IUPAC Name:
1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium;4-methylbenzenesulfonate
InChI:
InChI=1S/C14H14NS.C7H8O3S/c1-3-15-10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)15;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
KTTNCJKZKIRUTI-UHFFFAOYSA-M
EC Number:
256-017-0
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.096g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.523g/mol
Monoisotopic Mass:
399.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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