bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)

C10H33O9P3S3 — CID 173222128

IUPACbis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCC.CCCCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C5H12.3H3O3PS/c2*1-3-5-4-2;3*1-4(2,3)5/h2*3-5H2,1-2H3;3*(H3,1,2,3,5)
InChIKeyQDKVZXQCUMEPRM-UHFFFAOYSA-N
MW486.49 g/mol
LogP1.96
Rot. Bonds4

About bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)

bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173222128) has the molecular formula C10H33O9P3S3 and a molecular weight of 486.49 g/mol. Its IUPAC name is bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namebis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173222128
Molecular FormulaC10H33O9P3S3
Molecular Weight486.49 g/mol
Exact Mass486.05
IUPAC Namebis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCC.CCCCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C5H12.3H3O3PS/c2*1-3-5-4-2;3*1-4(2,3)5/h2*3-5H2,1-2H3;3*(H3,1,2,3,5)
InChIKeyQDKVZXQCUMEPRM-UHFFFAOYSA-N
XLogP1.96
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.49
LogP ≤ 51.96
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173415046
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175540063
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
tris(dodecan-1-amine);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175247763
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175487759
bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175245259
zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174490213

Frequently Asked Questions

What is the IUPAC name of bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173222128) is bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) is CCCCC.CCCCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is QDKVZXQCUMEPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12.3H3O3PS/c2*1-3-5-4-2;3*1-4(2,3)5/h2*3-5H2,1-2H3;3*(H3,1,2,3,5).
What are the key properties of bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 486.49 g/mol, XLogP of 1.96, 4 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173222128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).