Home Other Building Blocks 4-(tert-butylsulfanyl)-3,5-difluoroaniline

4-(tert-butylsulfanyl)-3,5-difluoroaniline

CAS No.:
1178103-35-9
Catalog Number:
AG01AUEA
Molecular Formula:
C10H13F2NS
Molecular Weight:
217.2787
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Product Description
Catalog Number:
AG01AUEA
Chemical Name:
4-(tert-butylsulfanyl)-3,5-difluoroaniline
CAS Number:
1178103-35-9
Molecular Formula:
C10H13F2NS
Molecular Weight:
217.2787
MDL Number:
MFCD12778496
IUPAC Name:
4-tert-butylsulfanyl-3,5-difluoroaniline
InChI:
InChI=1S/C10H13F2NS/c1-10(2,3)14-9-7(11)4-6(13)5-8(9)12/h4-5H,13H2,1-3H3
InChI Key:
IPDWULSPLNBCQJ-UHFFFAOYSA-N
SMILES:
Nc1cc(F)c(c(c1)F)SC(C)(C)C
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.278g/mol
Monoisotopic Mass:
217.074g/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