2-[ethoxy(methyl)phosphoryl]sulfanylpropane

C6H15O2PS — CID 3049712

IUPAC2-[ethoxy(methyl)phosphoryl]sulfanylpropane
SMILESCCOP(C)(=O)SC(C)C
InChIInChI=1S/C6H15O2PS/c1-5-8-9(4,7)10-6(2)3/h6H,5H2,1-4H3
InChIKeyXWXWAECVDNOFAX-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.99
Rot. Bonds4

About 2-[ethoxy(methyl)phosphoryl]sulfanylpropane

2-[ethoxy(methyl)phosphoryl]sulfanylpropane (PubChem CID 3049712) has the molecular formula C6H15O2PS and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[ethoxy(methyl)phosphoryl]sulfanylpropane.

Molecular Properties

Compound Name2-[ethoxy(methyl)phosphoryl]sulfanylpropane
PubChem CID3049712
Molecular FormulaC6H15O2PS
Molecular Weight182.22 g/mol
Exact Mass182.05
IUPAC Name2-[ethoxy(methyl)phosphoryl]sulfanylpropane
SMILESCCOP(C)(=O)SC(C)C
InChIInChI=1S/C6H15O2PS/c1-5-8-9(4,7)10-6(2)3/h6H,5H2,1-4H3
InChIKeyXWXWAECVDNOFAX-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.99
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 2-[ethoxy(methyl)phosphoryl]sulfanylpropane?
The IUPAC name of 2-[ethoxy(methyl)phosphoryl]sulfanylpropane (CID 3049712) is 2-[ethoxy(methyl)phosphoryl]sulfanylpropane.
What is the SMILES notation for 2-[ethoxy(methyl)phosphoryl]sulfanylpropane?
The canonical SMILES for 2-[ethoxy(methyl)phosphoryl]sulfanylpropane is CCOP(C)(=O)SC(C)C.
What is the InChIKey of 2-[ethoxy(methyl)phosphoryl]sulfanylpropane?
The InChIKey is XWXWAECVDNOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS/c1-5-8-9(4,7)10-6(2)3/h6H,5H2,1-4H3.
What are the key properties of 2-[ethoxy(methyl)phosphoryl]sulfanylpropane?
2-[ethoxy(methyl)phosphoryl]sulfanylpropane has a molecular weight of 182.22 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methyl)phosphoryl]sulfanylpropane is sourced from PubChem (CID 3049712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).