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50498-74-3 | 3-Ethyl-2,4-dimethylthiazolium toluene-p-sulphonate
CAS No: 50498-74-3 Catalog No: AG006YJX MDL No:
Product Description
Catalog Number:
AG006YJX
Chemical Name:
3-Ethyl-2,4-dimethylthiazolium toluene-p-sulphonate
CAS Number:
50498-74-3
Molecular Formula:
C14H19NO3S2
Molecular Weight:
313.4356
IUPAC Name:
3-ethyl-2,4-dimethyl-1,3-thiazol-3-ium;4-methylbenzenesulfonate
InChI:
InChI=1S/C7H12NS.C7H8O3S/c1-4-8-6(2)5-9-7(8)3;1-6-2-4-7(5-3-6)11(8,9)10/h5H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
RFPVJYBAAODNDM-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].CC[n+]1c(C)csc1C
EC Number:
256-607-8
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.081g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.43g/mol
Monoisotopic Mass:
313.081g/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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