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Home Other Building Blocks 5-(2-Thienyl)-3-(trifluoromethyl)-1h-pyrazole

5-(2-Thienyl)-3-(trifluoromethyl)-1h-pyrazole

CAS No.:
128228-96-6
Catalog Number:
AG000XVX
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$100
- +
1g
96%
In Stock USA
United States
$213
- +
5g
96%
In Stock USA
United States
$763
- +
Product Description
Catalog Number:
AG000XVX
Chemical Name:
5-(2-Thienyl)-3-(trifluoromethyl)-1h-pyrazole
CAS Number:
128228-96-6
Molecular Formula:
C8H5F3N2S
Molecular Weight:
218.1989
MDL Number:
MFCD00955259
IUPAC Name:
3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
InChI Key:
RAQSZNBGFKBCNQ-UHFFFAOYSA-N
SMILES:
FC(c1[nH]nc(c1)c1cccs1)(F)F
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.013g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.197g/mol
Monoisotopic Mass:
218.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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