4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane

C20H28P2S2 — CID 13159128

IUPAC4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane
SMILESCCP(=S)(CC)CCCCP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28P2S2/c1-3-21(23,4-2)17-11-12-18-22(24,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3
InChIKeyLEVFFUNIYJYTBM-UHFFFAOYSA-N
MW394.53 g/mol
LogP5.42
Rot. Bonds9

About 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane

4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane (PubChem CID 13159128) has the molecular formula C20H28P2S2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane
PubChem CID13159128
Molecular FormulaC20H28P2S2
Molecular Weight394.53 g/mol
Exact Mass394.11
IUPAC Name4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane
SMILESCCP(=S)(CC)CCCCP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28P2S2/c1-3-21(23,4-2)17-11-12-18-22(24,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3
InChIKeyLEVFFUNIYJYTBM-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
1-diphenylphosphinothioyloctan-3-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 23415993
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
chloromethyl-diphenyl-sulfanylidene-λ5-phosphane
CID 161049975
didodecyl-methylidene-phenyl-λ5-phosphane
CID 139749154
tris(ethyl-phenyl-sulfanylidene-sulfido-λ5-phosphane);zirconium(3+)
CID 174385466
dimethyl-phenyl-sulfanylidene-λ5-phosphane;ethane
CID 91466135
methyl-phenyl-sulfanyl-sulfanylidene-lambda5-phosphane
CID 586594
2,2-diphenylethyl-diphenyl-sulfanylidene-lambda5-phosphane
CID 10739652
4-[methyl(phenyl)phosphoryl]butan-1-ol
CID 541481
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
CID 50986602
CID 50986602

Frequently Asked Questions

What is the IUPAC name of 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane (CID 13159128) is 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane is CCP(=S)(CC)CCCCP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is LEVFFUNIYJYTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28P2S2/c1-3-21(23,4-2)17-11-12-18-22(24,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3.
What are the key properties of 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane?
4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 394.53 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethylphosphinothioylbutyl-diphenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13159128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).