1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene

C24H25OPS2 — CID 145275704

IUPAC1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene
SMILESC=Cc1ccc(CCP(=O)(SCc2ccccc2)SCc2ccccc2)cc1
InChIInChI=1S/C24H25OPS2/c1-2-21-13-15-22(16-14-21)17-18-26(25,27-19-23-9-5-3-6-10-23)28-20-24-11-7-4-8-12-24/h2-16H,1,17-20H2
InChIKeyYDKBPRCFPSLXIR-UHFFFAOYSA-N
MW424.57 g/mol
LogP7.93
Rot. Bonds10

About 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene

1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene (PubChem CID 145275704) has the molecular formula C24H25OPS2 and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene.

Molecular Properties

Compound Name1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene
PubChem CID145275704
Molecular FormulaC24H25OPS2
Molecular Weight424.57 g/mol
Exact Mass424.11
IUPAC Name1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene
SMILESC=Cc1ccc(CCP(=O)(SCc2ccccc2)SCc2ccccc2)cc1
InChIInChI=1S/C24H25OPS2/c1-2-21-13-15-22(16-14-21)17-18-26(25,27-19-23-9-5-3-6-10-23)28-20-24-11-7-4-8-12-24/h2-16H,1,17-20H2
InChIKeyYDKBPRCFPSLXIR-UHFFFAOYSA-N
XLogP7.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
1,3-bis[2-(4-ethenylphenyl)ethyl]benzene
CID 20738929
prop-2-enylbenzene;styrene;hydrochloride
CID 174946140
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione
CID 22423909
1,4-bis[(4-ethenylphenyl)methylsulfanyl]benzene
CID 14745002
styrene;sulfur dioxide
CID 18421317
1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
CID 175399717
2-dichlorophosphorylethylbenzene
CID 15169214
benzylsulfanyl(hydroxy)phosphinate
CID 140570730
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261

Frequently Asked Questions

What is the IUPAC name of 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene?
The IUPAC name of 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene (CID 145275704) is 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene.
What is the SMILES notation for 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene?
The canonical SMILES for 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene is C=Cc1ccc(CCP(=O)(SCc2ccccc2)SCc2ccccc2)cc1.
What is the InChIKey of 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene?
The InChIKey is YDKBPRCFPSLXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25OPS2/c1-2-21-13-15-22(16-14-21)17-18-26(25,27-19-23-9-5-3-6-10-23)28-20-24-11-7-4-8-12-24/h2-16H,1,17-20H2.
What are the key properties of 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene?
1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene has a molecular weight of 424.57 g/mol, XLogP of 7.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene is sourced from PubChem (CID 145275704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).