sulfanyloxyperoxymethanol

CH4O4S — CID 87921932

IUPACsulfanyloxyperoxymethanol
SMILESOCOOOS
InChIInChI=1S/CH4O4S/c2-1-3-4-5-6/h2,6H,1H2
InChIKeyOKBGCJLKFWZGGO-UHFFFAOYSA-N
MW112.11 g/mol
LogP-0.34
Rot. Bonds3

About sulfanyloxyperoxymethanol

sulfanyloxyperoxymethanol (PubChem CID 87921932) has the molecular formula CH4O4S and a molecular weight of 112.11 g/mol. Its IUPAC name is sulfanyloxyperoxymethanol.

Molecular Properties

Compound Namesulfanyloxyperoxymethanol
PubChem CID87921932
Molecular FormulaCH4O4S
Molecular Weight112.11 g/mol
Exact Mass111.98
IUPAC Namesulfanyloxyperoxymethanol
SMILESOCOOOS
InChIInChI=1S/CH4O4S/c2-1-3-4-5-6/h2,6H,1H2
InChIKeyOKBGCJLKFWZGGO-UHFFFAOYSA-N
XLogP-0.34
TPSA47.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydroperoxyperoxymethanol
CID 141157845
hydroxymethylperoxymethanol
CID 28258
hydroxymethylperoxymethanol;hydrate
CID 139899166
hydroperoxyperoxyperoxymethanol
CID 89139008
methylsulfanylperoxymethanol
CID 21040340
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
sulfanylperoxyperoxymethane
CID 23404984
sulfanyloxyperoxysulfanylethane
CID 88871755
hydroxymethoxymethanol;methane
CID 157392016
hydroperoxymethanol;hydrate
CID 141339396
azane;hydroxymethoxymethanol
CID 174600745
CID 12829466
CID 12829466

Frequently Asked Questions

What is the IUPAC name of sulfanyloxyperoxymethanol?
The IUPAC name of sulfanyloxyperoxymethanol (CID 87921932) is sulfanyloxyperoxymethanol.
What is the SMILES notation for sulfanyloxyperoxymethanol?
The canonical SMILES for sulfanyloxyperoxymethanol is OCOOOS.
What is the InChIKey of sulfanyloxyperoxymethanol?
The InChIKey is OKBGCJLKFWZGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4S/c2-1-3-4-5-6/h2,6H,1H2.
What are the key properties of sulfanyloxyperoxymethanol?
sulfanyloxyperoxymethanol has a molecular weight of 112.11 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyloxyperoxymethanol is sourced from PubChem (CID 87921932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).