methanesulfonic acid;pentylphosphane

C6H17O3PS — CID 174954558

IUPACmethanesulfonic acid;pentylphosphane
SMILESCCCCCP.CS(=O)(=O)O
InChIInChI=1S/C5H13P.CH4O3S/c1-2-3-4-5-6;1-5(2,3)4/h2-6H2,1H3;1H3,(H,2,3,4)
InChIKeyOHVBFBPNQNBXLR-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.56
Rot. Bonds3

About methanesulfonic acid;pentylphosphane

methanesulfonic acid;pentylphosphane (PubChem CID 174954558) has the molecular formula C6H17O3PS and a molecular weight of 200.24 g/mol. Its IUPAC name is methanesulfonic acid;pentylphosphane.

Molecular Properties

Compound Namemethanesulfonic acid;pentylphosphane
PubChem CID174954558
Molecular FormulaC6H17O3PS
Molecular Weight200.24 g/mol
Exact Mass200.06
IUPAC Namemethanesulfonic acid;pentylphosphane
SMILESCCCCCP.CS(=O)(=O)O
InChIInChI=1S/C5H13P.CH4O3S/c1-2-3-4-5-6;1-5(2,3)4/h2-6H2,1H3;1H3,(H,2,3,4)
InChIKeyOHVBFBPNQNBXLR-UHFFFAOYSA-N
XLogP1.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

butane;ethane;methanesulfonic acid;octane
CID 144526252
CID 158135492
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ruthenium;tridecylphosphane
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decylphosphane;hydrate
CID 175258156
nonylphosphane;hydrobromide
CID 173198265
sulfuric acid;tridecane
CID 91872702
tetradecylphosphane;hydrochloride
CID 173055472
sodium;butylphosphane;dodecane-1-sulfonic acid;hydride
CID 174572392
octylphosphane;tetramethylphosphanium;bromide
CID 174836712
sodium;sulfuric acid;tetradecane
CID 170922474
heptan-1-ol;heptylphosphane
CID 88830692
heptane;methylsulfonylmethane
CID 176706405

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;pentylphosphane?
The IUPAC name of methanesulfonic acid;pentylphosphane (CID 174954558) is methanesulfonic acid;pentylphosphane.
What is the SMILES notation for methanesulfonic acid;pentylphosphane?
The canonical SMILES for methanesulfonic acid;pentylphosphane is CCCCCP.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;pentylphosphane?
The InChIKey is OHVBFBPNQNBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13P.CH4O3S/c1-2-3-4-5-6;1-5(2,3)4/h2-6H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;pentylphosphane?
methanesulfonic acid;pentylphosphane has a molecular weight of 200.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;pentylphosphane is sourced from PubChem (CID 174954558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).