bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane

C10H19PS — CID 11481113

IUPACbis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane
SMILESC=CCCP(=S)(CC)CCC=C
InChIInChI=1S/C10H19PS/c1-4-7-9-11(12,6-3)10-8-5-2/h4-5H,1-2,6-10H2,3H3
InChIKeyYUXHSAGGPMOSFT-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.64
Rot. Bonds7

About bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane

bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane (PubChem CID 11481113) has the molecular formula C10H19PS and a molecular weight of 202.30 g/mol. Its IUPAC name is bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane
PubChem CID11481113
Molecular FormulaC10H19PS
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Namebis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane
SMILESC=CCCP(=S)(CC)CCC=C
InChIInChI=1S/C10H19PS/c1-4-7-9-11(12,6-3)10-8-5-2/h4-5H,1-2,6-10H2,3H3
InChIKeyYUXHSAGGPMOSFT-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[but-3-enyl(methyl)phosphoryl]but-1-ene
CID 135074007
(111C)pent-1-ene
CID 177423582
CID 175109121
CID 175109121
bis(but-3-enyl)phosphinic acid
CID 10487444
butane;ethene;pent-1-ene
CID 177174553
ethane;pent-1-ene;propane
CID 162735255
but-1-ene;ethene;pent-1-ene
CID 140771113
diethylphosphinothioylmethoxymethyl-diethyl-sulfanylidene-lambda5-phosphane
CID 2785369
hex-1-ene;zinc
CID 174554611
but-3-enyl(methyl)phosphinic acid;hex-5-enyl(methyl)phosphinic acid
CID 159912714
hept-1-ene;polane
CID 173465915
decane;pent-1-ene
CID 159058331

Frequently Asked Questions

What is the IUPAC name of bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane (CID 11481113) is bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane is C=CCCP(=S)(CC)CCC=C.
What is the InChIKey of bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane?
The InChIKey is YUXHSAGGPMOSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19PS/c1-4-7-9-11(12,6-3)10-8-5-2/h4-5H,1-2,6-10H2,3H3.
What are the key properties of bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane?
bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane has a molecular weight of 202.30 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-3-enyl)-ethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 11481113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).