1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane

C24H21PS2 — CID 176904849

IUPAC1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane
SMILESCC(SP(=S)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H21PS2/c1-19(21-17-16-20-10-8-9-11-22(20)18-21)27-25(26,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-19H,1H3
InChIKeyFQBHEWHSPYMUDU-UHFFFAOYSA-N
MW404.54 g/mol
LogP6.68
Rot. Bonds5

About 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane

1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 176904849) has the molecular formula C24H21PS2 and a molecular weight of 404.54 g/mol. Its IUPAC name is 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID176904849
Molecular FormulaC24H21PS2
Molecular Weight404.54 g/mol
Exact Mass404.08
IUPAC Name1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane
SMILESCC(SP(=S)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C24H21PS2/c1-19(21-17-16-20-10-8-9-11-22(20)18-21)27-25(26,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-19H,1H3
InChIKeyFQBHEWHSPYMUDU-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-ylethanethiol
CID 11672816
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-ylpentacene
CID 153380535
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
1-naphthalen-2-ylethanamine
CID 3857145
methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane
CID 23421632
3-hydroxy-2-methyl-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 12012921
naphthalen-2-ylmethanediol
CID 22496827
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
3-(1-naphthalen-2-ylethylsulfanyl)propane-1-thiol
CID 15731404
N-(1-naphthalen-2-ylethyl)-1-phenylethanamine
CID 22011039
2-(2-methoxy-1-naphthalen-2-ylethyl)naphthalene
CID 3646227

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane (CID 176904849) is 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane is CC(SP(=S)(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is FQBHEWHSPYMUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21PS2/c1-19(21-17-16-20-10-8-9-11-22(20)18-21)27-25(26,23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-19H,1H3.
What are the key properties of 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane?
1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 404.54 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylethylsulfanyl-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 176904849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).