pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane

C19H17F5S2 — CID 170413599

IUPACpentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane
SMILESCS(c1ccccc1)(c1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C19H17F5S2/c1-25(16-9-4-2-5-10-16,17-11-6-3-7-12-17)18-13-8-14-19(15-18)26(20,21,22,23)24/h2-15H,1H3
InChIKeyFCXBQCUASRFMED-UHFFFAOYSA-N
MW404.47 g/mol
LogP8.26
Rot. Bonds4

About pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane

pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane (PubChem CID 170413599) has the molecular formula C19H17F5S2 and a molecular weight of 404.47 g/mol. Its IUPAC name is pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane
PubChem CID170413599
Molecular FormulaC19H17F5S2
Molecular Weight404.47 g/mol
Exact Mass404.07
IUPAC Namepentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane
SMILESCS(c1ccccc1)(c1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C19H17F5S2/c1-25(16-9-4-2-5-10-16,17-11-6-3-7-12-17)18-13-8-14-19(15-18)26(20,21,22,23)24/h2-15H,1H3
InChIKeyFCXBQCUASRFMED-UHFFFAOYSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[[3-(pentafluoro-λ6-sulfanyl)phenyl]-diphenyl-λ4-sulfanyl] trifluoromethanesulfonate
CID 171802848
(1R)-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethanamine;hydrochloride
CID 163204291
2-hydroxy-2-methyl-N-[3-(pentafluoro-λ6-sulfanyl)phenyl]-3-[3-(pentafluoro-λ6-sulfanyl)phenyl]sulfonylpropanamide
CID 155563219
[3-(pentafluoro-λ6-sulfanyl)phenyl]methanol
CID 66523452
1-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-amine
CID 23643874
methyl-[3-methyl-4-[2-(trifluoromethyl)phenyl]sulfanylphenyl]-diphenyl-λ4-sulfane
CID 166826253
dihydroxy-methyl-phenyl-λ4-sulfane
CID 58227647
CID 58606544
CID 58606544
dichloro-methyl-phenyl-λ4-sulfane
CID 137473162
fluoromethyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 14117219
carbonofluoridic acid;methylsulfonylbenzene
CID 174721962
cyclohexa-1,3-dien-5-yn-1-yl-methyl-diphenyl-λ4-sulfane
CID 91300297

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane (CID 170413599) is pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane is CS(c1ccccc1)(c1ccccc1)c1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane?
The InChIKey is FCXBQCUASRFMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5S2/c1-25(16-9-4-2-5-10-16,17-11-6-3-7-12-17)18-13-8-14-19(15-18)26(20,21,22,23)24/h2-15H,1H3.
What are the key properties of pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane?
pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane has a molecular weight of 404.47 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[3-[methyl(diphenyl)-λ4-sulfanyl]phenyl]-λ6-sulfane is sourced from PubChem (CID 170413599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).