Home Other Building Blocks 2-[(2,2,2-trifluoroethyl)sulfanyl]aniline

2-[(2,2,2-trifluoroethyl)sulfanyl]aniline

CAS No.:
99229-16-0
Catalog Number:
AG019KF7
Molecular Formula:
C8H8F3NS
Molecular Weight:
207.2160
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Product Description
Catalog Number:
AG019KF7
Chemical Name:
2-[(2,2,2-trifluoroethyl)sulfanyl]aniline
CAS Number:
99229-16-0
Molecular Formula:
C8H8F3NS
Molecular Weight:
207.2160
MDL Number:
MFCD08729259
IUPAC Name:
2-(2,2,2-trifluoroethylsulfanyl)aniline
InChI:
InChI=1S/C8H8F3NS/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h1-4H,5,12H2
InChI Key:
HENBDRLKMRCDES-UHFFFAOYSA-N
SMILES:
Nc1ccccc1SCC(F)(F)F
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.033g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.214g/mol
Monoisotopic Mass:
207.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties