dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane

C12H27PS — CID 89340586

IUPACdibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane
SMILESC=S=P(CCC)(CCCC)CCCC
InChIInChI=1S/C12H27PS/c1-5-8-11-13(14-4,10-7-3)12-9-6-2/h4-12H2,1-3H3
InChIKeyFHICDOFYVKECLE-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.44
Rot. Bonds8

About dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane

dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane (PubChem CID 89340586) has the molecular formula C12H27PS and a molecular weight of 234.39 g/mol. Its IUPAC name is dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane.

Molecular Properties

Compound Namedibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane
PubChem CID89340586
Molecular FormulaC12H27PS
Molecular Weight234.39 g/mol
Exact Mass234.16
IUPAC Namedibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane
SMILESC=S=P(CCC)(CCCC)CCCC
InChIInChI=1S/C12H27PS/c1-5-8-11-13(14-4,10-7-3)12-9-6-2/h4-12H2,1-3H3
InChIKeyFHICDOFYVKECLE-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

alumane;butyl(propyl)phosphinic acid
CID 174987333
dihexylphosphinic acid;hexyl(propyl)phosphinic acid
CID 122574606
dibutyl-methyl-methylidene-λ5-phosphane
CID 59603144
CID 172720905
CID 172720905
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
butyl(2-hydroxyethyl)phosphinic acid
CID 87233440
1-[chloro(methyl)phosphoryl]butane
CID 14592594
butyl(methyl)phosphinic acid
CID 10909622
ethene;pentane
CID 54525676
didecylphosphinic acid;nickel
CID 87135973
didodecylphosphinic acid;nickel
CID 87135872
dioctadecylphosphinic acid;nickel
CID 87136046

Frequently Asked Questions

What is the IUPAC name of dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane?
The IUPAC name of dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane (CID 89340586) is dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane.
What is the SMILES notation for dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane?
The canonical SMILES for dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane is C=S=P(CCC)(CCCC)CCCC.
What is the InChIKey of dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane?
The InChIKey is FHICDOFYVKECLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27PS/c1-5-8-11-13(14-4,10-7-3)12-9-6-2/h4-12H2,1-3H3.
What are the key properties of dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane?
dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane has a molecular weight of 234.39 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(methylidene-λ4-sulfanylidene)-propyl-λ5-phosphane is sourced from PubChem (CID 89340586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).