Home Other Building Blocks Methyl 2-[2-(trifluoromethyl)quinolin-4-yl thio]-acetate

Methyl 2-[2-(trifluoromethyl)quinolin-4-yl thio]-acetate

CAS No.:
175203-42-6
Catalog Number:
AG0020JC
Molecular Formula:
C13H10F3NO2S
Molecular Weight:
301.2842
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$99
- +
1g
1 week
United States
$221
- +
Product Description
Catalog Number:
AG0020JC
Chemical Name:
Methyl 2-[2-(trifluoromethyl)quinolin-4-yl thio]-acetate
CAS Number:
175203-42-6
Molecular Formula:
C13H10F3NO2S
Molecular Weight:
301.2842
MDL Number:
MFCD00219657
IUPAC Name:
methyl 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetate
InChI:
InChI=1S/C13H10F3NO2S/c1-19-12(18)7-20-10-6-11(13(14,15)16)17-9-5-3-2-4-8(9)10/h2-6H,7H2,1H3
InChI Key:
AGLNLBXMPKNXDP-UHFFFAOYSA-N
SMILES:
COC(=O)CSc1cc(nc2c1cccc2)C(F)(F)F
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.038g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.283g/mol
Monoisotopic Mass:
301.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties