phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane

H6O7P2S4 — CID 175079488

IUPACphosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane
SMILESO=P(O)(O)O.OP(O)(O)=S.s1ss1
InChIInChI=1S/H3O4P.H3O3PS.S3/c1-5(2,3)4;1-4(2,3)5;1-2-3-1/h(H3,1,2,3,4);(H3,1,2,3,5);
InChIKeyOKFJEAMHRYMLPB-UHFFFAOYSA-N
MW308.26 g/mol
LogP0.13
Rot. Bonds

About phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane

phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane (PubChem CID 175079488) has the molecular formula H6O7P2S4 and a molecular weight of 308.26 g/mol. Its IUPAC name is phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane.

Molecular Properties

Compound Namephosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane
PubChem CID175079488
Molecular FormulaH6O7P2S4
Molecular Weight308.26 g/mol
Exact Mass307.85
IUPAC Namephosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane
SMILESO=P(O)(O)O.OP(O)(O)=S.s1ss1
InChIInChI=1S/H3O4P.H3O3PS.S3/c1-5(2,3)4;1-4(2,3)5;1-2-3-1/h(H3,1,2,3,4);(H3,1,2,3,5);
InChIKeyOKFJEAMHRYMLPB-UHFFFAOYSA-N
XLogP0.13
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.26
LogP ≤ 50.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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hydrogen peroxide;phosphoric acid
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CID 159816390
methane;phosphoric acid
CID 173400304
CID 173050648
CID 173050648
iron;phosphoric acid
CID 174838016
cerium;phosphoric acid
CID 90659592
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Frequently Asked Questions

What is the IUPAC name of phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane?
The IUPAC name of phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane (CID 175079488) is phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane.
What is the SMILES notation for phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane?
The canonical SMILES for phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane is O=P(O)(O)O.OP(O)(O)=S.s1ss1.
What is the InChIKey of phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane?
The InChIKey is OKFJEAMHRYMLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O4P.H3O3PS.S3/c1-5(2,3)4;1-4(2,3)5;1-2-3-1/h(H3,1,2,3,4);(H3,1,2,3,5);.
What are the key properties of phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane?
phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane has a molecular weight of 308.26 g/mol, XLogP of 0.13, 0 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;trihydroxy(sulfanylidene)-λ5-phosphane;trithiirane is sourced from PubChem (CID 175079488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).