tris(propylsulfanyl)-selanylidene-λ5-phosphane

C9H21PS3Se — CID 23412993

IUPACtris(propylsulfanyl)-selanylidene-λ5-phosphane
SMILESCCCSP(=[Se])(SCCC)SCCC
InChIInChI=1S/C9H21PS3Se/c1-4-7-11-10(14,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyBYESXLUITYTFPO-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.26
Rot. Bonds9

About tris(propylsulfanyl)-selanylidene-λ5-phosphane

tris(propylsulfanyl)-selanylidene-λ5-phosphane (PubChem CID 23412993) has the molecular formula C9H21PS3Se and a molecular weight of 335.40 g/mol. Its IUPAC name is tris(propylsulfanyl)-selanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(propylsulfanyl)-selanylidene-λ5-phosphane
PubChem CID23412993
Molecular FormulaC9H21PS3Se
Molecular Weight335.40 g/mol
Exact Mass335.97
IUPAC Nametris(propylsulfanyl)-selanylidene-λ5-phosphane
SMILESCCCSP(=[Se])(SCCC)SCCC
InChIInChI=1S/C9H21PS3Se/c1-4-7-11-10(14,12-8-5-2)13-9-6-3/h4-9H2,1-3H3
InChIKeyBYESXLUITYTFPO-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bis(propylsulfanyl)phosphoryl-2-methylpropane
CID 23413470
1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane
CID 22226137
methyl-propylsulfanyl-sulfanyl-sulfanylidene-λ5-phosphane
CID 21116234
antimony(3+);tris(oxido-propoxy-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 175173432
bis(prop-2-enoxy)-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 101005346
tridodecyl(selanylidene)-λ5-phosphane
CID 87250096
1-(methyldisulfanyl)propane
CID 16592
1-(propylheptasulfanyl)propane
CID 14123249
ethanol;1-propylsulfanylpropane
CID 175163753
ethylsulfanylethane;1-ethylsulfanylpropane
CID 91509545
bis(propylsulfanyl)silane
CID 154016187
oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209

Frequently Asked Questions

What is the IUPAC name of tris(propylsulfanyl)-selanylidene-λ5-phosphane?
The IUPAC name of tris(propylsulfanyl)-selanylidene-λ5-phosphane (CID 23412993) is tris(propylsulfanyl)-selanylidene-λ5-phosphane.
What is the SMILES notation for tris(propylsulfanyl)-selanylidene-λ5-phosphane?
The canonical SMILES for tris(propylsulfanyl)-selanylidene-λ5-phosphane is CCCSP(=[Se])(SCCC)SCCC.
What is the InChIKey of tris(propylsulfanyl)-selanylidene-λ5-phosphane?
The InChIKey is BYESXLUITYTFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21PS3Se/c1-4-7-11-10(14,12-8-5-2)13-9-6-3/h4-9H2,1-3H3.
What are the key properties of tris(propylsulfanyl)-selanylidene-λ5-phosphane?
tris(propylsulfanyl)-selanylidene-λ5-phosphane has a molecular weight of 335.40 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propylsulfanyl)-selanylidene-λ5-phosphane is sourced from PubChem (CID 23412993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).