ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane

C2H12O7P2S2 — CID 87962194

IUPACethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCCO.O=P(O)(O)S.OP(O)(O)=S
InChIInChI=1S/C2H6O.2H3O3PS/c1-2-3;2*1-4(2,3)5/h3H,2H2,1H3;2*(H3,1,2,3,5)
InChIKeyZDZJCTWGUFIVOT-UHFFFAOYSA-N
MW274.19 g/mol
LogP-0.80
Rot. Bonds

About ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane

ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 87962194) has the molecular formula C2H12O7P2S2 and a molecular weight of 274.19 g/mol. Its IUPAC name is ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Nameethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane
PubChem CID87962194
Molecular FormulaC2H12O7P2S2
Molecular Weight274.19 g/mol
Exact Mass273.95
IUPAC Nameethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESCCO.O=P(O)(O)S.OP(O)(O)=S
InChIInChI=1S/C2H6O.2H3O3PS/c1-2-3;2*1-4(2,3)5/h3H,2H2,1H3;2*(H3,1,2,3,5)
InChIKeyZDZJCTWGUFIVOT-UHFFFAOYSA-N
XLogP-0.80
TPSA138.45 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane (CID 87962194) is ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane is CCO.O=P(O)(O)S.OP(O)(O)=S.
What is the InChIKey of ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane?
The InChIKey is ZDZJCTWGUFIVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.2H3O3PS/c1-2-3;2*1-4(2,3)5/h3H,2H2,1H3;2*(H3,1,2,3,5).
What are the key properties of ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane?
ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 274.19 g/mol, XLogP of -0.80, 0 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;sulfanylphosphonic acid;trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 87962194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).