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

C12H37NO6P2S2 — CID 174057991

IUPACazane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCCC.CCCCCC.N.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C6H14.H3N.2H3O3PS/c2*1-3-5-6-4-2;;2*1-4(2,3)5/h2*3-6H2,1-2H3;1H3;2*(H3,1,2,3,5)
InChIKeyMEYBOPOACDUOQH-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.71
Rot. Bonds6

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

azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 174057991) has the molecular formula C12H37NO6P2S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Nameazane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID174057991
Molecular FormulaC12H37NO6P2S2
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Nameazane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESCCCCCC.CCCCCC.N.OP(O)(O)=S.OP(O)(O)=S
InChIInChI=1S/2C6H14.H3N.2H3O3PS/c2*1-3-5-6-4-2;;2*1-4(2,3)5/h2*3-6H2,1-2H3;1H3;2*(H3,1,2,3,5)
InChIKeyMEYBOPOACDUOQH-UHFFFAOYSA-N
XLogP3.71
TPSA156.38 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 53.71
H-Bond Donors ≤ 57
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

bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
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
N,N-dioctyloctan-1-amine;trihydroxy(sulfanylidene)-λ5-phosphane
CID 175487759
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
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 azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 174057991) is azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) is CCCCCC.CCCCCC.N.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is MEYBOPOACDUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14.H3N.2H3O3PS/c2*1-3-5-6-4-2;;2*1-4(2,3)5/h2*3-6H2,1-2H3;1H3;2*(H3,1,2,3,5).
What are the key properties of azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 417.51 g/mol, XLogP of 3.71, 6 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(hexane);bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 174057991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).