phosphanyloxysulfonylmethanesulfonic acid

CH5O6PS2 — CID 122479772

IUPACphosphanyloxysulfonylmethanesulfonic acid
SMILESO=S(=O)(O)CS(=O)(=O)OP
InChIInChI=1S/CH5O6PS2/c2-9(3,4)1-10(5,6)7-8/h1,8H2,(H,2,3,4)
InChIKeyLFBDEDAZOZEASI-UHFFFAOYSA-N
MW208.15 g/mol
LogP-1.03
Rot. Bonds3

About phosphanyloxysulfonylmethanesulfonic acid

phosphanyloxysulfonylmethanesulfonic acid (PubChem CID 122479772) has the molecular formula CH5O6PS2 and a molecular weight of 208.15 g/mol. Its IUPAC name is phosphanyloxysulfonylmethanesulfonic acid.

Molecular Properties

Compound Namephosphanyloxysulfonylmethanesulfonic acid
PubChem CID122479772
Molecular FormulaCH5O6PS2
Molecular Weight208.15 g/mol
Exact Mass207.93
IUPAC Namephosphanyloxysulfonylmethanesulfonic acid
SMILESO=S(=O)(O)CS(=O)(=O)OP
InChIInChI=1S/CH5O6PS2/c2-9(3,4)1-10(5,6)7-8/h1,8H2,(H,2,3,4)
InChIKeyLFBDEDAZOZEASI-UHFFFAOYSA-N
XLogP-1.03
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

phosphanyl fluoromethanesulfonate
CID 87407764
CID 131856458
CID 131856458
copper;methanedisulfonic acid
CID 88584534
barium(2+);methanedisulfonic acid
CID 54611525
propan-2-yloxysulfonylmethanesulfonic acid
CID 151617954
4-methylpentan-2-yloxysulfonylmethanesulfonic acid
CID 174682911
butoxysulfonylmethanesulfonic acid
CID 151818041
magnesium;sodium;hydride;methanedisulfonic acid
CID 174744552
phosphanyl tetradecane-1-sulfonate
CID 139601424
phenylmethoxysulfonylmethanesulfonic acid
CID 86632337
methoxysulfonodithioylmethanesulfonic acid
CID 175915473
methoxysulfonothioylmethanesulfonic acid
CID 150954828

Frequently Asked Questions

What is the IUPAC name of phosphanyloxysulfonylmethanesulfonic acid?
The IUPAC name of phosphanyloxysulfonylmethanesulfonic acid (CID 122479772) is phosphanyloxysulfonylmethanesulfonic acid.
What is the SMILES notation for phosphanyloxysulfonylmethanesulfonic acid?
The canonical SMILES for phosphanyloxysulfonylmethanesulfonic acid is O=S(=O)(O)CS(=O)(=O)OP.
What is the InChIKey of phosphanyloxysulfonylmethanesulfonic acid?
The InChIKey is LFBDEDAZOZEASI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O6PS2/c2-9(3,4)1-10(5,6)7-8/h1,8H2,(H,2,3,4).
What are the key properties of phosphanyloxysulfonylmethanesulfonic acid?
phosphanyloxysulfonylmethanesulfonic acid has a molecular weight of 208.15 g/mol, XLogP of -1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyloxysulfonylmethanesulfonic acid is sourced from PubChem (CID 122479772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).