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88149-82-0 | Thiophene, 3-(4-fluorophenyl)-2-[4-(methylthio)phenyl]-
CAS No: 88149-82-0 Catalog No: AG004ECR MDL No:
Product Description
Catalog Number:
AG004ECR
Chemical Name:
Thiophene, 3-(4-fluorophenyl)-2-[4-(methylthio)phenyl]-
CAS Number:
88149-82-0
Molecular Formula:
C17H13FS2
Molecular Weight:
300.4135
IUPAC Name:
3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)thiophene
InChI:
InChI=1S/C17H13FS2/c1-19-15-8-4-13(5-9-15)17-16(10-11-20-17)12-2-6-14(18)7-3-12/h2-11H,1H3
InChI Key:
UATYHGDORKYEEW-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1sccc1c1ccc(cc1)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.409g/mol
Monoisotopic Mass:
300.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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