azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane

H9BNO6PS — CID 175125290

IUPACazane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESN.OB(O)O.OP(O)(O)=S
InChIInChI=1S/BH3O3.H3N.H3O3PS/c2-1(3)4;;1-4(2,3)5/h2-4H;1H3;(H3,1,2,3,5)
InChIKeyROLJCCMJPTYAIU-UHFFFAOYSA-N
MW192.93 g/mol
LogP-2.70
Rot. Bonds

About azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane

azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane (PubChem CID 175125290) has the molecular formula H9BNO6PS and a molecular weight of 192.93 g/mol. Its IUPAC name is azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane.

Molecular Properties

Compound Nameazane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane
PubChem CID175125290
Molecular FormulaH9BNO6PS
Molecular Weight192.93 g/mol
Exact Mass193.00
IUPAC Nameazane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane
SMILESN.OB(O)O.OP(O)(O)=S
InChIInChI=1S/BH3O3.H3N.H3O3PS/c2-1(3)4;;1-4(2,3)5/h2-4H;1H3;(H3,1,2,3,5)
InChIKeyROLJCCMJPTYAIU-UHFFFAOYSA-N
XLogP-2.70
TPSA156.38 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.93
LogP ≤ 5-2.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane?
The IUPAC name of azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane (CID 175125290) is azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane.
What is the SMILES notation for azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane?
The canonical SMILES for azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane is N.OB(O)O.OP(O)(O)=S.
What is the InChIKey of azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane?
The InChIKey is ROLJCCMJPTYAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/BH3O3.H3N.H3O3PS/c2-1(3)4;;1-4(2,3)5/h2-4H;1H3;(H3,1,2,3,5).
What are the key properties of azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane?
azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane has a molecular weight of 192.93 g/mol, XLogP of -2.70, 0 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;boric acid;trihydroxy(sulfanylidene)-λ5-phosphane is sourced from PubChem (CID 175125290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).