CID 174986248

C4H12AlO5PS — CID 174986248

IUPAC—
SMILESCC[Al+]CC.O=PO.O=[S-](=O)O
InChIInChI=1S/2C2H5.Al.HO3S.HO2P/c2*1-2;;1-4(2)3;1-3-2/h2*1H2,2H3;;(H,1,2,3);(H,1,2)/q;;+1;-1;
InChIKeyNYTRBCZFIJRQRO-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.52
Rot. Bonds2

About CID 174986248

CID 174986248 (PubChem CID 174986248) has the molecular formula C4H12AlO5PS and a molecular weight of 230.16 g/mol.

Molecular Properties

Compound NameCID 174986248
PubChem CID174986248
Molecular FormulaC4H12AlO5PS
Molecular Weight230.16 g/mol
Exact Mass230.00
IUPAC Name—
SMILESCC[Al+]CC.O=PO.O=[S-](=O)O
InChIInChI=1S/2C2H5.Al.HO3S.HO2P/c2*1-2;;1-4(2)3;1-3-2/h2*1H2,2H3;;(H,1,2,3);(H,1,2)/q;;+1;-1;
InChIKeyNYTRBCZFIJRQRO-UHFFFAOYSA-N
XLogP1.52
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

ethyl(2-hydroxyethyl)alumanylium;phosphenous acid
CID 159898317
phosphenous acid;propane
CID 19090860
diethylalumanylium fluoride
CID 16688914
phosphenous acid;tantalum(5+)
CID 161242167
azane;butane;phosphenous acid
CID 173067034
hexane;phosphenous acid
CID 21406649
CID 174654761
CID 174654761
diethylalumanylium;titanium(4+);tetrachloride;fluoride
CID 159607865
phosphenous acid;tetraethylazanium
CID 14943914
magnesium;diethylalumanylium;tris(propan-2-olate)
CID 18786649
magnesium;barium(2+);hydride;phosphenous acid
CID 174807555
butane;phosphenous acid;zinc
CID 174826071

Frequently Asked Questions

What is the IUPAC name of CID 174986248?
The IUPAC name of CID 174986248 (CID 174986248) is not available.
What is the SMILES notation for CID 174986248?
The canonical SMILES for CID 174986248 is CC[Al+]CC.O=PO.O=[S-](=O)O.
What is the InChIKey of CID 174986248?
The InChIKey is NYTRBCZFIJRQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5.Al.HO3S.HO2P/c2*1-2;;1-4(2)3;1-3-2/h2*1H2,2H3;;(H,1,2,3);(H,1,2)/q;;+1;-1;.
What are the key properties of CID 174986248?
CID 174986248 has a molecular weight of 230.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174986248 is sourced from PubChem (CID 174986248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).