1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane

C8H19OPS2 — CID 22226137

IUPAC1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane
SMILESCCCSP(=O)(CC)SCCC
InChIInChI=1S/C8H19OPS2/c1-4-7-11-10(9,6-3)12-8-5-2/h4-8H2,1-3H3
InChIKeyJOZCFRHHLBAHJZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP4.49
Rot. Bonds7

About 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane

1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane (PubChem CID 22226137) has the molecular formula C8H19OPS2 and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane.

Molecular Properties

Compound Name1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane
PubChem CID22226137
Molecular FormulaC8H19OPS2
Molecular Weight226.35 g/mol
Exact Mass226.06
IUPAC Name1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane
SMILESCCCSP(=O)(CC)SCCC
InChIInChI=1S/C8H19OPS2/c1-4-7-11-10(9,6-3)12-8-5-2/h4-8H2,1-3H3
InChIKeyJOZCFRHHLBAHJZ-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane?
The IUPAC name of 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane (CID 22226137) is 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane.
What is the SMILES notation for 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane?
The canonical SMILES for 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane is CCCSP(=O)(CC)SCCC.
What is the InChIKey of 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane?
The InChIKey is JOZCFRHHLBAHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19OPS2/c1-4-7-11-10(9,6-3)12-8-5-2/h4-8H2,1-3H3.
What are the key properties of 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane?
1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane has a molecular weight of 226.35 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propylsulfanyl)phosphoryl]sulfanylpropane is sourced from PubChem (CID 22226137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).