methyl(methylsulfanylmethyl)phosphinic acid

C3H9O2PS — CID 54354608

IUPACmethyl(methylsulfanylmethyl)phosphinic acid
SMILESCSCP(C)(=O)O
InChIInChI=1S/C3H9O2PS/c1-6(4,5)3-7-2/h3H2,1-2H3,(H,4,5)
InChIKeyUIFOFYRGXXHGAW-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.21
Rot. Bonds2

About methyl(methylsulfanylmethyl)phosphinic acid

methyl(methylsulfanylmethyl)phosphinic acid (PubChem CID 54354608) has the molecular formula C3H9O2PS and a molecular weight of 140.14 g/mol. Its IUPAC name is methyl(methylsulfanylmethyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(methylsulfanylmethyl)phosphinic acid
PubChem CID54354608
Molecular FormulaC3H9O2PS
Molecular Weight140.14 g/mol
Exact Mass140.01
IUPAC Namemethyl(methylsulfanylmethyl)phosphinic acid
SMILESCSCP(C)(=O)O
InChIInChI=1S/C3H9O2PS/c1-6(4,5)3-7-2/h3H2,1-2H3,(H,4,5)
InChIKeyUIFOFYRGXXHGAW-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(methylsulfanylmethyl)phosphinic acid?
The IUPAC name of methyl(methylsulfanylmethyl)phosphinic acid (CID 54354608) is methyl(methylsulfanylmethyl)phosphinic acid.
What is the SMILES notation for methyl(methylsulfanylmethyl)phosphinic acid?
The canonical SMILES for methyl(methylsulfanylmethyl)phosphinic acid is CSCP(C)(=O)O.
What is the InChIKey of methyl(methylsulfanylmethyl)phosphinic acid?
The InChIKey is UIFOFYRGXXHGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O2PS/c1-6(4,5)3-7-2/h3H2,1-2H3,(H,4,5).
What are the key properties of methyl(methylsulfanylmethyl)phosphinic acid?
methyl(methylsulfanylmethyl)phosphinic acid has a molecular weight of 140.14 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(methylsulfanylmethyl)phosphinic acid is sourced from PubChem (CID 54354608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).