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Home Aminos 3-[(2-aminoethyl)thio]-1-(4-fluorophenyl)-2,5-pyrrolidinedione hydrochloride

3-[(2-aminoethyl)thio]-1-(4-fluorophenyl)-2,5-pyrrolidinedione hydrochloride

CAS No.:
1048649-31-5
Catalog Number:
AG00J3QS
Molecular Formula:
C12H14ClFN2O2S
Molecular Weight:
304.7682
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG00J3QS
Chemical Name:
3-[(2-aminoethyl)thio]-1-(4-fluorophenyl)-2,5-pyrrolidinedione hydrochloride
CAS Number:
1048649-31-5
Molecular Formula:
C12H14ClFN2O2S
Molecular Weight:
304.7682
MDL Number:
MFCD03941512
IUPAC Name:
3-(2-aminoethylsulfanyl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione;hydrochloride
InChI:
InChI=1S/C12H13FN2O2S.ClH/c13-8-1-3-9(4-2-8)15-11(16)7-10(12(15)17)18-6-5-14;/h1-4,10H,5-7,14H2;1H
InChI Key:
YKKNZWPEIQKCOU-UHFFFAOYSA-N
SMILES:
NCCSC1CC(=O)N(C1=O)c1ccc(cc1)F.Cl
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.045g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
304.764g/mol
Monoisotopic Mass:
304.045g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties