[3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene

C21H15F3S3 — CID 616198

IUPAC[3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene
SMILESFC(F)(F)C(Sc1ccccc1)=C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C21H15F3S3/c22-21(23,24)19(25-16-10-4-1-5-11-16)20(26-17-12-6-2-7-13-17)27-18-14-8-3-9-15-18/h1-15H
InChIKeyRSMOENYNQUDFBU-UHFFFAOYSA-N
MW420.55 g/mol
LogP8.09
Rot. Bonds6

About [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene

[3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene (PubChem CID 616198) has the molecular formula C21H15F3S3 and a molecular weight of 420.55 g/mol. Its IUPAC name is [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene
PubChem CID616198
Molecular FormulaC21H15F3S3
Molecular Weight420.55 g/mol
Exact Mass420.03
IUPAC Name[3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene
SMILESFC(F)(F)C(Sc1ccccc1)=C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C21H15F3S3/c22-21(23,24)19(25-16-10-4-1-5-11-16)20(26-17-12-6-2-7-13-17)27-18-14-8-3-9-15-18/h1-15H
InChIKeyRSMOENYNQUDFBU-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenyl sulfide
CID 8766
1,1'-(Methylenebis(thio))bis(benzene)
CID 77097
Sulfonium, triphenyl-, 1,1,1-trifluoromethanesulfonate (1:1)
CID 11729320
Triphenylsulfonium nonafluorobutanesulfonate
CID 16216936
Tris(phenylthio)methane
CID 615706
Triphenylsulfonium chloride
CID 61343
Sulfonium, triphenyl-, hexafluorophosphate(1-) (1:1)
CID 93819
Sulfonium, triphenyl-, (OC-6-11)-hexafluoroantimonate(1-) (1:1)
CID 93820
Sulfonium, triphenyl-, hexafluoroarsenate(1-) (1:1)
CID 93839
Sulfonium, diphenyl[4-(phenylthio)phenyl]-, (OC-6-11)-hexafluoroantimonate(1-) (1:1)
CID 16688304
((2-(Phenylthio)-1-cyclobuten-1-yl)thio)benzene
CID 332690
Bis(4-fluorophenyl)sulfane
CID 11229781

Frequently Asked Questions

What is the IUPAC name of [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene?
The IUPAC name of [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene (CID 616198) is [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene.
What is the SMILES notation for [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene?
The canonical SMILES for [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene is FC(F)(F)C(Sc1ccccc1)=C(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene?
The InChIKey is RSMOENYNQUDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3S3/c22-21(23,24)19(25-16-10-4-1-5-11-16)20(26-17-12-6-2-7-13-17)27-18-14-8-3-9-15-18/h1-15H.
What are the key properties of [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene?
[3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene has a molecular weight of 420.55 g/mol, XLogP of 8.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,3-trifluoro-1,1-bis(phenylsulfanyl)prop-1-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 616198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).