1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene

C24H22S2 — CID 14745002

IUPAC1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
SMILESC=Cc1ccc(CSc2ccc(SCc3ccc(C=C)cc3)cc2)cc1
InChIInChI=1S/C24H22S2/c1-3-19-5-9-21(10-6-19)17-25-23-13-15-24(16-14-23)26-18-22-11-7-20(4-2)8-12-22/h3-16H,1-2,17-18H2
InChIKeyALOOCQPRXCDEJD-UHFFFAOYSA-N
MW374.57 g/mol
LogP7.56
Rot. Bonds8

About 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene

1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene (PubChem CID 14745002) has the molecular formula C24H22S2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
PubChem CID14745002
Molecular FormulaC24H22S2
Molecular Weight374.57 g/mol
Exact Mass374.12
IUPAC Name1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
SMILESC=Cc1ccc(CSc2ccc(SCc3ccc(C=C)cc3)cc2)cc1
InChIInChI=1S/C24H22S2/c1-3-19-5-9-21(10-6-19)17-25-23-13-15-24(16-14-23)26-18-22-11-7-20(4-2)8-12-22/h3-16H,1-2,17-18H2
InChIKeyALOOCQPRXCDEJD-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene?
The IUPAC name of 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene (CID 14745002) is 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene?
The canonical SMILES for 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene is C=Cc1ccc(CSc2ccc(SCc3ccc(C=C)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene?
The InChIKey is ALOOCQPRXCDEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22S2/c1-3-19-5-9-21(10-6-19)17-25-23-13-15-24(16-14-23)26-18-22-11-7-20(4-2)8-12-22/h3-16H,1-2,17-18H2.
What are the key properties of 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene?
1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene has a molecular weight of 374.57 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene is sourced from PubChem (CID 14745002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).