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114808-44-5 | Benzenethiol, 4,4'-(1,2-ethanediyl)bis[2,3,5,6-tetrafluoro-
CAS No: 114808-44-5 Catalog No: AG000F9S MDL No:
Product Description
Catalog Number:
AG000F9S
Chemical Name:
Benzenethiol, 4,4'-(1,2-ethanediyl)bis[2,3,5,6-tetrafluoro-
CAS Number:
114808-44-5
Molecular Formula:
C14H6F8S2
Molecular Weight:
390.3147
IUPAC Name:
2,3,5,6-tetrafluoro-4-[2-(2,3,5,6-tetrafluoro-4-sulfanylphenyl)ethyl]benzenethiol
InChI:
InChI=1S/C14H6F8S2/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h23-24H,1-2H2
InChI Key:
JFXNCLJLOKGPIJ-UHFFFAOYSA-N
SMILES:
Fc1c(CCc2c(F)c(F)c(c(c2F)F)S)c(F)c(c(c1F)S)F
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.978g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.309g/mol
Monoisotopic Mass:
389.978g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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