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

C12H37O9P3S3 — CID 173222467

IUPACbis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCCC.CCCCCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C6H14.3H3O3PS/c2*1-3-5-6-4-2;3*1-4(2,3)5/h2*3-6H2,1-2H3;3*(H3,1,2,3,5)
InChIKeyRPCTVPKFWRWLPP-UHFFFAOYSA-N
MW514.54 g/mol
LogP2.74
Rot. Bonds6

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

bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173222467) has the molecular formula C12H37O9P3S3 and a molecular weight of 514.54 g/mol. Its IUPAC name is bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namebis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173222467
Molecular FormulaC12H37O9P3S3
Molecular Weight514.54 g/mol
Exact Mass514.08
IUPAC Namebis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCCC.CCCCCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C6H14.3H3O3PS/c2*1-3-5-6-4-2;3*1-4(2,3)5/h2*3-6H2,1-2H3;3*(H3,1,2,3,5)
InChIKeyRPCTVPKFWRWLPP-UHFFFAOYSA-N
XLogP2.74
TPSA182.07 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.54
LogP ≤ 52.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174057991
bis(octadecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 173005691
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
bis(dodecan-1-ol);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175540063
tris(dodecan-1-amine);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175247763
ethane;N-methylmethanamine;pentane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173415046
zinc;bis(dodecane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174490213
bis(dodecane);molybdenum(2+);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175245259
octane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174708790
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175487759
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
bis(2-methylpropane);trihexyl(tetradecyl)phosphanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174209331

Frequently Asked Questions

What is the IUPAC name of bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173222467) is bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) is CCCCCC.CCCCCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is RPCTVPKFWRWLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14.3H3O3PS/c2*1-3-5-6-4-2;3*1-4(2,3)5/h2*3-6H2,1-2H3;3*(H3,1,2,3,5).
What are the key properties of bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)?
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 514.54 g/mol, XLogP of 2.74, 6 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173222467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).