[(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene

C23H22S2 — CID 15445458

IUPAC[(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene
SMILESC(=C/C(CCc1ccccc1)Sc1ccccc1)\Sc1ccccc1
InChIInChI=1S/C23H22S2/c1-4-10-20(11-5-1)16-17-23(25-22-14-8-3-9-15-22)18-19-24-21-12-6-2-7-13-21/h1-15,18-19,23H,16-17H2/b19-18+
InChIKeyZHNYRWRAISMGMC-VHEBQXMUSA-N
MW362.56 g/mol
LogP7.09
Rot. Bonds8

About [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene

[(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene (PubChem CID 15445458) has the molecular formula C23H22S2 and a molecular weight of 362.56 g/mol. Its IUPAC name is [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene.

Molecular Properties

Compound Name[(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene
PubChem CID15445458
Molecular FormulaC23H22S2
Molecular Weight362.56 g/mol
Exact Mass362.12
IUPAC Name[(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene
SMILESC(=C/C(CCc1ccccc1)Sc1ccccc1)\Sc1ccccc1
InChIInChI=1S/C23H22S2/c1-4-10-20(11-5-1)16-17-23(25-22-14-8-3-9-15-22)18-19-24-21-12-6-2-7-13-21/h1-15,18-19,23H,16-17H2/b19-18+
InChIKeyZHNYRWRAISMGMC-VHEBQXMUSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-2,4-bis(phenylsulfanyl)but-3-enyl]-trimethylsilane
CID 11405220
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7-phenyl-3-phenylsulfanylheptanoic acid
CID 18790157
(E)-1-phenyl-4-phenylsulfanylbut-3-en-2-one
CID 175599085
3-[3,3-bis(phenylsulfanyl)propoxy]propylbenzene
CID 11452225
(5R,6R)-5-hydroxy-8-phenyl-6-phenylsulfanyloctanoic acid
CID 13105333
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
(Z)-3-phenylsulfanylprop-2-en-1-ol
CID 12685459
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
S-(5-phenylpent-1-en-3-yl) ethanethioate
CID 15536305
N-methyl-1-(4-methylsulfanylphenyl)-3-phenylpropan-1-amine
CID 115794332
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene?
The IUPAC name of [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene (CID 15445458) is [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene.
What is the SMILES notation for [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene?
The canonical SMILES for [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene is C(=C/C(CCc1ccccc1)Sc1ccccc1)\Sc1ccccc1.
What is the InChIKey of [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene?
The InChIKey is ZHNYRWRAISMGMC-VHEBQXMUSA-N. The full InChI is InChI=1S/C23H22S2/c1-4-10-20(11-5-1)16-17-23(25-22-14-8-3-9-15-22)18-19-24-21-12-6-2-7-13-21/h1-15,18-19,23H,16-17H2/b19-18+.
What are the key properties of [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene?
[(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene has a molecular weight of 362.56 g/mol, XLogP of 7.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,5-bis(phenylsulfanyl)pent-4-enyl]benzene is sourced from PubChem (CID 15445458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).