Home Sulfos (2E)-3-methanesulfonylprop-2-en-1-amine trifluoroacetate

(2E)-3-methanesulfonylprop-2-en-1-amine trifluoroacetate

CAS No.:
1610799-82-0
Catalog Number:
AG01EM88
Molecular Formula:
C6H10F3NO4S
Molecular Weight:
249.2081
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Product Description
Catalog Number:
AG01EM88
Chemical Name:
(2E)-3-methanesulfonylprop-2-en-1-amine trifluoroacetate
CAS Number:
1610799-82-0
Molecular Formula:
C6H10F3NO4S
Molecular Weight:
249.2081
IUPAC Name:
(E)-3-methylsulfonylprop-2-en-1-amine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C4H9NO2S.C2HF3O2/c1-8(6,7)4-2-3-5;3-2(4,5)1(6)7/h2,4H,3,5H2,1H3;(H,6,7)/b4-2+;
InChI Key:
BQUJESSFPJRFCW-VEELZWTKSA-N
SMILES:
OC(=O)C(F)(F)F.NC/C=C/S(=O)(=O)C
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
249.028g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.204g/mol
Monoisotopic Mass:
249.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties