diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine

C10H26NO3PS — CID 173276202

IUPACdiethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
SMILESCCN(CC)CC.CCOP(O)(=S)OCC
InChIInChI=1S/C6H15N.C4H11O3PS/c1-4-7(5-2)6-3;1-3-6-8(5,9)7-4-2/h4-6H2,1-3H3;3-4H2,1-2H3,(H,5,9)
InChIKeyGKYWIWVZVSCTHQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.62
Rot. Bonds7

About diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine

diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine (PubChem CID 173276202) has the molecular formula C10H26NO3PS and a molecular weight of 271.36 g/mol. Its IUPAC name is diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine.

Molecular Properties

Compound Namediethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
PubChem CID173276202
Molecular FormulaC10H26NO3PS
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Namediethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
SMILESCCN(CC)CC.CCOP(O)(=S)OCC
InChIInChI=1S/C6H15N.C4H11O3PS/c1-4-7(5-2)6-3;1-3-6-8(5,9)7-4-2/h4-6H2,1-3H3;3-4H2,1-2H3,(H,5,9)
InChIKeyGKYWIWVZVSCTHQ-UHFFFAOYSA-N
XLogP2.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 118426700
carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
CID 173456241
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
[diethoxy(hydroxy)-λ5-phosphanylidene]-[2-(diethylamino)ethyl]sulfanium
CID 172865589
N,N-diethylethanamine;ethane
CID 22114990
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
N,N-diethylethanamine;fluorophosphonic acid
CID 173141880
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;hypochlorous acid
CID 87187871
N,N-diethylethanamine chloride
CID 22292735

Frequently Asked Questions

What is the IUPAC name of diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine?
The IUPAC name of diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine (CID 173276202) is diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine.
What is the SMILES notation for diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine?
The canonical SMILES for diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine is CCN(CC)CC.CCOP(O)(=S)OCC.
What is the InChIKey of diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine?
The InChIKey is GKYWIWVZVSCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H11O3PS/c1-4-7(5-2)6-3;1-3-6-8(5,9)7-4-2/h4-6H2,1-3H3;3-4H2,1-2H3,(H,5,9).
What are the key properties of diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine?
diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine is sourced from PubChem (CID 173276202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).