[diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium

C10H25NO3PS+ — CID 172865589

IUPAC[diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium
SMILESCCOP(O)(OCC)=[S+]CCN(CC)CC
InChIInChI=1S/C10H25NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h12H,5-10H2,1-4H3/q+1
InChIKeyZYDIPFWONPCKGB-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.15
Rot. Bonds9

About [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium

[diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium (PubChem CID 172865589) has the molecular formula C10H25NO3PS+ and a molecular weight of 270.35 g/mol. Its IUPAC name is [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium.

Molecular Properties

Compound Name[diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium
PubChem CID172865589
Molecular FormulaC10H25NO3PS+
Molecular Weight270.35 g/mol
Exact Mass270.13
IUPAC Name[diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium
SMILESCCOP(O)(OCC)=[S+]CCN(CC)CC
InChIInChI=1S/C10H25NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h12H,5-10H2,1-4H3/q+1
InChIKeyZYDIPFWONPCKGB-UHFFFAOYSA-N
XLogP2.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
CID 173276202
carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
CID 173456241
carbonic acid;2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine;ethene
CID 87674337
N,N-diethyl-2-sulfanyloxyethanamine
CID 141295772
2-[ethoxy(propyl)phosphoryl]sulfanyl-N,N-diethylethanamine
CID 126582667
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
N,N-diethyl-2-(methylaminooxy)ethanamine
CID 143582118
4-ethoxy-N,N-diethyl-3-methylbutan-1-amine
CID 10773944
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583

Frequently Asked Questions

What is the IUPAC name of [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium?
The IUPAC name of [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium (CID 172865589) is [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium.
What is the SMILES notation for [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium?
The canonical SMILES for [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium is CCOP(O)(OCC)=[S+]CCN(CC)CC.
What is the InChIKey of [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium?
The InChIKey is ZYDIPFWONPCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NO3PS/c1-5-11(6-2)9-10-16-15(12,13-7-3)14-8-4/h12H,5-10H2,1-4H3/q+1.
What are the key properties of [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium?
[diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium has a molecular weight of 270.35 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium is sourced from PubChem (CID 172865589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).