Home Other Building Blocks 2-[(trifluoromethyl)sulfanyl]-1H-imidazole

2-[(trifluoromethyl)sulfanyl]-1H-imidazole

CAS No.:
1870120-60-7
Catalog Number:
AG01EHRL
Molecular Formula:
C4H3F3N2S
Molecular Weight:
168.1402
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EHRL
Chemical Name:
2-[(trifluoromethyl)sulfanyl]-1H-imidazole
CAS Number:
1870120-60-7
Molecular Formula:
C4H3F3N2S
Molecular Weight:
168.1402
MDL Number:
MFCD31668533
IUPAC Name:
2-(trifluoromethylsulfanyl)-1H-imidazole
InChI:
InChI=1S/C4H3F3N2S/c5-4(6,7)10-3-8-1-2-9-3/h1-2H,(H,8,9)
InChI Key:
HJRISCWNAYRPCT-UHFFFAOYSA-N
SMILES:
FC(Sc1ncc[nH]1)(F)F
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.997g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.137g/mol
Monoisotopic Mass:
167.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties