[(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane

C8H21NO5P2S — CID 86748481

IUPAC[(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(NP(=S)(OCC)OCC)OCC
InChIInChI=1S/C8H21NO5P2S/c1-5-11-15(10,12-6-2)9-16(17,13-7-3)14-8-4/h5-8H2,1-4H3,(H,9,10,17)
InChIKeyUVODNENEBZDFOA-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.05
Rot. Bonds10

About [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane

[(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane (PubChem CID 86748481) has the molecular formula C8H21NO5P2S and a molecular weight of 305.27 g/mol. Its IUPAC name is [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane.

Molecular Properties

Compound Name[(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane
PubChem CID86748481
Molecular FormulaC8H21NO5P2S
Molecular Weight305.27 g/mol
Exact Mass305.06
IUPAC Name[(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane
SMILESCCOP(=O)(NP(=S)(OCC)OCC)OCC
InChIInChI=1S/C8H21NO5P2S/c1-5-11-15(10,12-6-2)9-16(17,13-7-3)14-8-4/h5-8H2,1-4H3,(H,9,10,17)
InChIKeyUVODNENEBZDFOA-UHFFFAOYSA-N
XLogP3.05
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-diethoxyphosphinothioylmethanamine
CID 759370
2-[butan-2-yloxy-(diethoxyphosphorylamino)phosphoryl]oxybutane
CID 4054615
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
N-diethoxyphosphinothioylbenzamide
CID 131847254
N,3-bis(diethoxyphosphoryl)propan-1-amine
CID 12557390
trans-(1R,2R)-1-N,2-N-bis(diethoxyphosphinothioyl)cyclohexane-1,2-diamine
CID 15517377
2-chloro-N-diethoxyphosphorylethanamine
CID 11127656
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
ethyl phosphate;N-methylmethanamine
CID 19985438
diaminophosphoryloxyethane
CID 12620494
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
tetrasodium ethyl phosphate
CID 141178132

Frequently Asked Questions

What is the IUPAC name of [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane?
The IUPAC name of [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane (CID 86748481) is [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane.
What is the SMILES notation for [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane?
The canonical SMILES for [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane is CCOP(=O)(NP(=S)(OCC)OCC)OCC.
What is the InChIKey of [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane?
The InChIKey is UVODNENEBZDFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO5P2S/c1-5-11-15(10,12-6-2)9-16(17,13-7-3)14-8-4/h5-8H2,1-4H3,(H,9,10,17).
What are the key properties of [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane?
[(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane has a molecular weight of 305.27 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(diethoxyphosphinothioylamino)-ethoxyphosphoryl]oxyethane is sourced from PubChem (CID 86748481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).