methyl(methylsulfanyl)phosphinic acid

C2H7O2PS — CID 20632104

IUPACmethyl(methylsulfanyl)phosphinic acid
SMILESCSP(C)(=O)O
InChIInChI=1S/C2H7O2PS/c1-5(3,4)6-2/h1-2H3,(H,3,4)
InChIKeyMPCSTFGJWAKZSG-UHFFFAOYSA-N
MW126.12 g/mol
LogP1.16
Rot. Bonds1

About methyl(methylsulfanyl)phosphinic acid

methyl(methylsulfanyl)phosphinic acid (PubChem CID 20632104) has the molecular formula C2H7O2PS and a molecular weight of 126.12 g/mol. Its IUPAC name is methyl(methylsulfanyl)phosphinic acid.

Molecular Properties

Compound Namemethyl(methylsulfanyl)phosphinic acid
PubChem CID20632104
Molecular FormulaC2H7O2PS
Molecular Weight126.12 g/mol
Exact Mass125.99
IUPAC Namemethyl(methylsulfanyl)phosphinic acid
SMILESCSP(C)(=O)O
InChIInChI=1S/C2H7O2PS/c1-5(3,4)6-2/h1-2H3,(H,3,4)
InChIKeyMPCSTFGJWAKZSG-UHFFFAOYSA-N
XLogP1.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 51.16
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(methylsulfanyl)phosphinic acid?
The IUPAC name of methyl(methylsulfanyl)phosphinic acid (CID 20632104) is methyl(methylsulfanyl)phosphinic acid.
What is the SMILES notation for methyl(methylsulfanyl)phosphinic acid?
The canonical SMILES for methyl(methylsulfanyl)phosphinic acid is CSP(C)(=O)O.
What is the InChIKey of methyl(methylsulfanyl)phosphinic acid?
The InChIKey is MPCSTFGJWAKZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O2PS/c1-5(3,4)6-2/h1-2H3,(H,3,4).
What are the key properties of methyl(methylsulfanyl)phosphinic acid?
methyl(methylsulfanyl)phosphinic acid has a molecular weight of 126.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(methylsulfanyl)phosphinic acid is sourced from PubChem (CID 20632104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).