methoxy(methylsulfanyl)phosphinous acid

C2H7O2PS — CID 86596783

IUPACmethoxy(methylsulfanyl)phosphinous acid
SMILESCOP(O)SC
InChIInChI=1S/C2H7O2PS/c1-4-5(3)6-2/h3H,1-2H3
InChIKeyLVFUWJLIDMSANU-UHFFFAOYSA-N
MW126.12 g/mol
LogP1.22
Rot. Bonds2

About methoxy(methylsulfanyl)phosphinous acid

methoxy(methylsulfanyl)phosphinous acid (PubChem CID 86596783) has the molecular formula C2H7O2PS and a molecular weight of 126.12 g/mol. Its IUPAC name is methoxy(methylsulfanyl)phosphinous acid.

Molecular Properties

Compound Namemethoxy(methylsulfanyl)phosphinous acid
PubChem CID86596783
Molecular FormulaC2H7O2PS
Molecular Weight126.12 g/mol
Exact Mass125.99
IUPAC Namemethoxy(methylsulfanyl)phosphinous acid
SMILESCOP(O)SC
InChIInChI=1S/C2H7O2PS/c1-4-5(3)6-2/h3H,1-2H3
InChIKeyLVFUWJLIDMSANU-UHFFFAOYSA-N
XLogP1.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 51.22
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)phosphinous acid?
The IUPAC name of methoxy(methylsulfanyl)phosphinous acid (CID 86596783) is methoxy(methylsulfanyl)phosphinous acid.
What is the SMILES notation for methoxy(methylsulfanyl)phosphinous acid?
The canonical SMILES for methoxy(methylsulfanyl)phosphinous acid is COP(O)SC.
What is the InChIKey of methoxy(methylsulfanyl)phosphinous acid?
The InChIKey is LVFUWJLIDMSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O2PS/c1-4-5(3)6-2/h3H,1-2H3.
What are the key properties of methoxy(methylsulfanyl)phosphinous acid?
methoxy(methylsulfanyl)phosphinous acid has a molecular weight of 126.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(methylsulfanyl)phosphinous acid is sourced from PubChem (CID 86596783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).