1-[ethoxy(methoxy)phosphoryl]sulfanylpropane

C6H15O3PS — CID 77098499

IUPAC1-[ethoxy(methoxy)phosphoryl]sulfanylpropane
SMILESCCCSP(=O)(OC)OCC
InChIInChI=1S/C6H15O3PS/c1-4-6-11-10(7,8-3)9-5-2/h4-6H2,1-3H3
InChIKeyBLMDNYFPFQLYIY-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.92
Rot. Bonds6

About 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane

1-[ethoxy(methoxy)phosphoryl]sulfanylpropane (PubChem CID 77098499) has the molecular formula C6H15O3PS and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane.

Molecular Properties

Compound Name1-[ethoxy(methoxy)phosphoryl]sulfanylpropane
PubChem CID77098499
Molecular FormulaC6H15O3PS
Molecular Weight198.22 g/mol
Exact Mass198.05
IUPAC Name1-[ethoxy(methoxy)phosphoryl]sulfanylpropane
SMILESCCCSP(=O)(OC)OCC
InChIInChI=1S/C6H15O3PS/c1-4-6-11-10(7,8-3)9-5-2/h4-6H2,1-3H3
InChIKeyBLMDNYFPFQLYIY-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[ethoxy(methoxy)phosphoryl]sulfanylpropane?
The IUPAC name of 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane (CID 77098499) is 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane.
What is the SMILES notation for 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane?
The canonical SMILES for 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane is CCCSP(=O)(OC)OCC.
What is the InChIKey of 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane?
The InChIKey is BLMDNYFPFQLYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3PS/c1-4-6-11-10(7,8-3)9-5-2/h4-6H2,1-3H3.
What are the key properties of 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane?
1-[ethoxy(methoxy)phosphoryl]sulfanylpropane has a molecular weight of 198.22 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(methoxy)phosphoryl]sulfanylpropane is sourced from PubChem (CID 77098499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).