propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)

C6H25O9P3S3 — CID 173222318

IUPACpropane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCC.CCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C3H8.3H3O3PS/c2*1-3-2;3*1-4(2,3)5/h2*3H2,1-2H3;3*(H3,1,2,3,5)
InChIKeyHDIQYCUKSSIETM-UHFFFAOYSA-N
MW430.38 g/mol
LogP0.40
Rot. Bonds

About propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)

propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173222318) has the molecular formula C6H25O9P3S3 and a molecular weight of 430.38 g/mol. Its IUPAC name is propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namepropane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173222318
Molecular FormulaC6H25O9P3S3
Molecular Weight430.38 g/mol
Exact Mass429.99
IUPAC Namepropane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCC.CCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C3H8.3H3O3PS/c2*1-3-2;3*1-4(2,3)5/h2*3H2,1-2H3;3*(H3,1,2,3,5)
InChIKeyHDIQYCUKSSIETM-UHFFFAOYSA-N
XLogP0.40
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 50.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173222318) is propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane) is CCC.CCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is HDIQYCUKSSIETM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8.3H3O3PS/c2*1-3-2;3*1-4(2,3)5/h2*3H2,1-2H3;3*(H3,1,2,3,5).
What are the key properties of propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 430.38 g/mol, XLogP of 0.40, 0 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173222318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).