1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene

C26H20S4 — CID 2755609

IUPAC1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
SMILESc1ccc(SC(Sc2ccccc2)=C(Sc2ccccc2)Sc2ccccc2)cc1
InChIInChI=1S/C26H20S4/c1-5-13-21(14-6-1)27-25(28-22-15-7-2-8-16-22)26(29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20H
InChIKeyNNUXIHVLCQSMHL-UHFFFAOYSA-N
MW460.71 g/mol
LogP9.28
Rot. Bonds8

About 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene

1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene (PubChem CID 2755609) has the molecular formula C26H20S4 and a molecular weight of 460.71 g/mol. Its IUPAC name is 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene.

Molecular Properties

Compound Name1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
PubChem CID2755609
Molecular FormulaC26H20S4
Molecular Weight460.71 g/mol
Exact Mass460.04
IUPAC Name1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
SMILESc1ccc(SC(Sc2ccccc2)=C(Sc2ccccc2)Sc2ccccc2)cc1
InChIInChI=1S/C26H20S4/c1-5-13-21(14-6-1)27-25(28-22-15-7-2-8-16-22)26(29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20H
InChIKeyNNUXIHVLCQSMHL-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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phenylsulfanylmethanedithioate
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1-S,4-S-diphenyl (Z)-but-2-enebis(thioate)
CID 6435287
1-S,4-S-diphenyl benzene-1,4-dicarbothioate
CID 15851968
1-phenylethenylsulfanylbenzene
CID 3594215
CID 157222783
CID 157222783
1,1-difluoroprop-1-en-2-ylsulfanylbenzene
CID 11194757
phenyl N,N-dimethylcarbamodithioate
CID 11063386
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
1-S,8-S-diphenyl octanebis(thioate)
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phenyl N,N-difluorocarbamodithioate
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Frequently Asked Questions

What is the IUPAC name of 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene?
The IUPAC name of 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene (CID 2755609) is 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene.
What is the SMILES notation for 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene?
The canonical SMILES for 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene is c1ccc(SC(Sc2ccccc2)=C(Sc2ccccc2)Sc2ccccc2)cc1.
What is the InChIKey of 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene?
The InChIKey is NNUXIHVLCQSMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20S4/c1-5-13-21(14-6-1)27-25(28-22-15-7-2-8-16-22)26(29-23-17-9-3-10-18-23)30-24-19-11-4-12-20-24/h1-20H.
What are the key properties of 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene?
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene has a molecular weight of 460.71 g/mol, XLogP of 9.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene is sourced from PubChem (CID 2755609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).