methylsulfanylmethylphosphonic acid

C2H7O3PS — CID 11378546

IUPACmethylsulfanylmethylphosphonic acid
SMILESCSCP(=O)(O)O
InChIInChI=1S/C2H7O3PS/c1-7-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
InChIKeyJDQCXRJHKKGROT-UHFFFAOYSA-N
MW142.12 g/mol
LogP0.48
Rot. Bonds2

About methylsulfanylmethylphosphonic acid

methylsulfanylmethylphosphonic acid (PubChem CID 11378546) has the molecular formula C2H7O3PS and a molecular weight of 142.12 g/mol. Its IUPAC name is methylsulfanylmethylphosphonic acid.

Molecular Properties

Compound Namemethylsulfanylmethylphosphonic acid
PubChem CID11378546
Molecular FormulaC2H7O3PS
Molecular Weight142.12 g/mol
Exact Mass141.99
IUPAC Namemethylsulfanylmethylphosphonic acid
SMILESCSCP(=O)(O)O
InChIInChI=1S/C2H7O3PS/c1-7-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
InChIKeyJDQCXRJHKKGROT-UHFFFAOYSA-N
XLogP0.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
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 methylsulfanylmethylphosphonic acid?
The IUPAC name of methylsulfanylmethylphosphonic acid (CID 11378546) is methylsulfanylmethylphosphonic acid.
What is the SMILES notation for methylsulfanylmethylphosphonic acid?
The canonical SMILES for methylsulfanylmethylphosphonic acid is CSCP(=O)(O)O.
What is the InChIKey of methylsulfanylmethylphosphonic acid?
The InChIKey is JDQCXRJHKKGROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3PS/c1-7-2-6(3,4)5/h2H2,1H3,(H2,3,4,5).
What are the key properties of methylsulfanylmethylphosphonic acid?
methylsulfanylmethylphosphonic acid has a molecular weight of 142.12 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylphosphonic acid is sourced from PubChem (CID 11378546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).