methoxy(methylsulfanyl)phosphinic acid

C2H7O3PS — CID 6451898

IUPACmethoxy(methylsulfanyl)phosphinic acid
SMILESCOP(=O)(O)SC
InChIInChI=1S/C2H7O3PS/c1-5-6(3,4)7-2/h1-2H3,(H,3,4)
InChIKeyUBRYVVDAYNKOOR-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.10
Rot. Bonds2

About methoxy(methylsulfanyl)phosphinic acid

methoxy(methylsulfanyl)phosphinic acid (PubChem CID 6451898) has the molecular formula C2H7O3PS and a molecular weight of 142.12 g/mol. Its IUPAC name is methoxy(methylsulfanyl)phosphinic acid.

Molecular Properties

Compound Namemethoxy(methylsulfanyl)phosphinic acid
PubChem CID6451898
Molecular FormulaC2H7O3PS
Molecular Weight142.12 g/mol
Exact Mass141.99
IUPAC Namemethoxy(methylsulfanyl)phosphinic acid
SMILESCOP(=O)(O)SC
InChIInChI=1S/C2H7O3PS/c1-5-6(3,4)7-2/h1-2H3,(H,3,4)
InChIKeyUBRYVVDAYNKOOR-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.10
H-Bond Donors ≤ 51
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 methoxy(methylsulfanyl)phosphinic acid?
The IUPAC name of methoxy(methylsulfanyl)phosphinic acid (CID 6451898) is methoxy(methylsulfanyl)phosphinic acid.
What is the SMILES notation for methoxy(methylsulfanyl)phosphinic acid?
The canonical SMILES for methoxy(methylsulfanyl)phosphinic acid is COP(=O)(O)SC.
What is the InChIKey of methoxy(methylsulfanyl)phosphinic acid?
The InChIKey is UBRYVVDAYNKOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3PS/c1-5-6(3,4)7-2/h1-2H3,(H,3,4).
What are the key properties of methoxy(methylsulfanyl)phosphinic acid?
methoxy(methylsulfanyl)phosphinic acid has a molecular weight of 142.12 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(methylsulfanyl)phosphinic acid is sourced from PubChem (CID 6451898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).