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87841-00-7 | 1H-Pyrrole, 1,1'-dithiobis[2,3,4,5-tetrakis[(trifluoromethyl)thio]-
CAS No: 87841-00-7 Catalog No: AG004ELW MDL No:
Product Description
Catalog Number:
AG004ELW
Chemical Name:
1H-Pyrrole, 1,1'-dithiobis[2,3,4,5-tetrakis[(trifluoromethyl)thio]-
CAS Number:
87841-00-7
Molecular Formula:
C16F24N2S10
Molecular Weight:
996.7963
IUPAC Name:
1-[[2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrol-1-yl]disulfanyl]-2,3,4,5-tetrakis(trifluoromethylsulfanyl)pyrrole
InChI:
InChI=1S/C16F24N2S10/c17-9(18,19)43-1-2(44-10(20,21)22)6(48-14(32,33)34)41(5(1)47-13(29,30)31)51-52-42-7(49-15(35,36)37)3(45-11(23,24)25)4(46-12(26,27)28)8(42)50-16(38,39)40
InChI Key:
MISHLRQPMLEJEK-UHFFFAOYSA-N
SMILES:
FC(Sc1n(SSn2c(SC(F)(F)F)c(c(c2SC(F)(F)F)SC(F)(F)F)SC(F)(F)F)c(c(c1SC(F)(F)F)SC(F)(F)F)SC(F)(F)F)(F)F
Properties
Complexity:
976
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
995.689g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
34
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
996.752g/mol
Monoisotopic Mass:
995.689g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
263A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.5
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