Home Other Building Blocks 4-(butan-2-ylsulfanyl)-2-(trifluoromethyl)aniline

4-(butan-2-ylsulfanyl)-2-(trifluoromethyl)aniline

CAS No.:
1019539-28-6
Catalog Number:
AG01A8FS
Molecular Formula:
C11H14F3NS
Molecular Weight:
249.2958
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Product Description
Catalog Number:
AG01A8FS
Chemical Name:
4-(butan-2-ylsulfanyl)-2-(trifluoromethyl)aniline
CAS Number:
1019539-28-6
Molecular Formula:
C11H14F3NS
Molecular Weight:
249.2958
MDL Number:
MFCD11136074
IUPAC Name:
4-butan-2-ylsulfanyl-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H14F3NS/c1-3-7(2)16-8-4-5-10(15)9(6-8)11(12,13)14/h4-7H,3,15H2,1-2H3
InChI Key:
AOEHQUVZVOVLRM-UHFFFAOYSA-N
SMILES:
CCC(Sc1ccc(c(c1)C(F)(F)F)N)C
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.295g/mol
Monoisotopic Mass:
249.08g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties