phenylmethanesulfonic acid;phosphane

C7H11O3PS — CID 173374603

IUPACphenylmethanesulfonic acid;phosphane
SMILESO=S(=O)(O)Cc1ccccc1.P
InChIInChI=1S/C7H8O3S.H3P/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,8,9,10);1H3
InChIKeyUXEYWNPGJOCELZ-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.13
Rot. Bonds2

About phenylmethanesulfonic acid;phosphane

phenylmethanesulfonic acid;phosphane (PubChem CID 173374603) has the molecular formula C7H11O3PS and a molecular weight of 206.20 g/mol. Its IUPAC name is phenylmethanesulfonic acid;phosphane.

Molecular Properties

Compound Namephenylmethanesulfonic acid;phosphane
PubChem CID173374603
Molecular FormulaC7H11O3PS
Molecular Weight206.20 g/mol
Exact Mass206.02
IUPAC Namephenylmethanesulfonic acid;phosphane
SMILESO=S(=O)(O)Cc1ccccc1.P
InChIInChI=1S/C7H8O3S.H3P/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,8,9,10);1H3
InChIKeyUXEYWNPGJOCELZ-UHFFFAOYSA-N
XLogP1.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 68896583
CID 68896583
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Frequently Asked Questions

What is the IUPAC name of phenylmethanesulfonic acid;phosphane?
The IUPAC name of phenylmethanesulfonic acid;phosphane (CID 173374603) is phenylmethanesulfonic acid;phosphane.
What is the SMILES notation for phenylmethanesulfonic acid;phosphane?
The canonical SMILES for phenylmethanesulfonic acid;phosphane is O=S(=O)(O)Cc1ccccc1.P.
What is the InChIKey of phenylmethanesulfonic acid;phosphane?
The InChIKey is UXEYWNPGJOCELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.H3P/c8-11(9,10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,8,9,10);1H3.
What are the key properties of phenylmethanesulfonic acid;phosphane?
phenylmethanesulfonic acid;phosphane has a molecular weight of 206.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanesulfonic acid;phosphane is sourced from PubChem (CID 173374603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).