Home Other Building Blocks Di-4-fluorophenyl sulfide

Di-4-fluorophenyl sulfide

CAS No.:
405-31-2
Catalog Number:
AG00CIMR
Molecular Formula:
C12H8F2S2
Molecular Weight:
254.3187
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Product Description
Catalog Number:
AG00CIMR
Chemical Name:
Di-4-fluorophenyl sulfide
CAS Number:
405-31-2
Molecular Formula:
C12H8F2S2
Molecular Weight:
254.3187
MDL Number:
MFCD00816758
IUPAC Name:
1-fluoro-4-[(4-fluorophenyl)disulfanyl]benzene
InChI:
InChI=1S/C12H8F2S2/c13-9-1-5-11(6-2-9)15-16-12-7-3-10(14)4-8-12/h1-8H
InChI Key:
SLXZJIKDNHDPKL-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)SSc1ccc(cc1)F
EC Number:
609-845-5
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.004g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.313g/mol
Monoisotopic Mass:
254.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties