ethylsulfanylmethoxy(methyl)phosphinous acid

C4H11O2PS — CID 151487933

IUPACethylsulfanylmethoxy(methyl)phosphinous acid
SMILESCCSCOP(C)O
InChIInChI=1S/C4H11O2PS/c1-3-8-4-6-7(2)5/h5H,3-4H2,1-2H3
InChIKeyARNSROFWMPRZSM-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.65
Rot. Bonds4

About ethylsulfanylmethoxy(methyl)phosphinous acid

ethylsulfanylmethoxy(methyl)phosphinous acid (PubChem CID 151487933) has the molecular formula C4H11O2PS and a molecular weight of 154.17 g/mol. Its IUPAC name is ethylsulfanylmethoxy(methyl)phosphinous acid.

Molecular Properties

Compound Nameethylsulfanylmethoxy(methyl)phosphinous acid
PubChem CID151487933
Molecular FormulaC4H11O2PS
Molecular Weight154.17 g/mol
Exact Mass154.02
IUPAC Nameethylsulfanylmethoxy(methyl)phosphinous acid
SMILESCCSCOP(C)O
InChIInChI=1S/C4H11O2PS/c1-3-8-4-6-7(2)5/h5H,3-4H2,1-2H3
InChIKeyARNSROFWMPRZSM-UHFFFAOYSA-N
XLogP1.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylmethoxy(methyl)phosphinous acid?
The IUPAC name of ethylsulfanylmethoxy(methyl)phosphinous acid (CID 151487933) is ethylsulfanylmethoxy(methyl)phosphinous acid.
What is the SMILES notation for ethylsulfanylmethoxy(methyl)phosphinous acid?
The canonical SMILES for ethylsulfanylmethoxy(methyl)phosphinous acid is CCSCOP(C)O.
What is the InChIKey of ethylsulfanylmethoxy(methyl)phosphinous acid?
The InChIKey is ARNSROFWMPRZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2PS/c1-3-8-4-6-7(2)5/h5H,3-4H2,1-2H3.
What are the key properties of ethylsulfanylmethoxy(methyl)phosphinous acid?
ethylsulfanylmethoxy(methyl)phosphinous acid has a molecular weight of 154.17 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylmethoxy(methyl)phosphinous acid is sourced from PubChem (CID 151487933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).