methylphosphanyl methanesulfonate

C2H7O3PS — CID 87159497

IUPACmethylphosphanyl methanesulfonate
SMILESCPOS(C)(=O)=O
InChIInChI=1S/C2H7O3PS/c1-6-5-7(2,3)4/h6H,1-2H3
InChIKeyLHZZUHIBFWVQEI-UHFFFAOYSA-N
MW142.12 g/mol
LogP0.19
Rot. Bonds2

About methylphosphanyl methanesulfonate

methylphosphanyl methanesulfonate (PubChem CID 87159497) has the molecular formula C2H7O3PS and a molecular weight of 142.12 g/mol. Its IUPAC name is methylphosphanyl methanesulfonate.

Molecular Properties

Compound Namemethylphosphanyl methanesulfonate
PubChem CID87159497
Molecular FormulaC2H7O3PS
Molecular Weight142.12 g/mol
Exact Mass141.99
IUPAC Namemethylphosphanyl methanesulfonate
SMILESCPOS(C)(=O)=O
InChIInChI=1S/C2H7O3PS/c1-6-5-7(2,3)4/h6H,1-2H3
InChIKeyLHZZUHIBFWVQEI-UHFFFAOYSA-N
XLogP0.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

silyl methanesulfonate
CID 19038808
amino methanesulfonate;hydrochloride
CID 87157730
sodium methanesulfonoperoxoate
CID 59815177
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
CID 142697665
CID 142697665
butane;methyl methanesulfonate
CID 174496202
methylphosphinous acid;sulfuric acid
CID 87170524
iodo(methylsulfonyl)phosphane
CID 175949620
ethyl methanesulfonate;hydrofluoride
CID 174826290
[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 87563497
bromo methanesulfonate;chloro methanesulfonate
CID 141377269
sodium;hydride;methoxy methanesulfonate
CID 173180257

Frequently Asked Questions

What is the IUPAC name of methylphosphanyl methanesulfonate?
The IUPAC name of methylphosphanyl methanesulfonate (CID 87159497) is methylphosphanyl methanesulfonate.
What is the SMILES notation for methylphosphanyl methanesulfonate?
The canonical SMILES for methylphosphanyl methanesulfonate is CPOS(C)(=O)=O.
What is the InChIKey of methylphosphanyl methanesulfonate?
The InChIKey is LHZZUHIBFWVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3PS/c1-6-5-7(2,3)4/h6H,1-2H3.
What are the key properties of methylphosphanyl methanesulfonate?
methylphosphanyl methanesulfonate has a molecular weight of 142.12 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphanyl methanesulfonate is sourced from PubChem (CID 87159497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).