4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole

C10H19N2O3PS — CID 15495868

IUPAC4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole
SMILESCCOP(=O)(OCC)C1(C)N=CN=C1SCC
InChIInChI=1S/C10H19N2O3PS/c1-5-14-16(13,15-6-2)10(4)9(17-7-3)11-8-12-10/h8H,5-7H2,1-4H3
InChIKeyFMIOPTCYVAUADV-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.16
Rot. Bonds6

About 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole

4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole (PubChem CID 15495868) has the molecular formula C10H19N2O3PS and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole.

Molecular Properties

Compound Name4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole
PubChem CID15495868
Molecular FormulaC10H19N2O3PS
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole
SMILESCCOP(=O)(OCC)C1(C)N=CN=C1SCC
InChIInChI=1S/C10H19N2O3PS/c1-5-14-16(13,15-6-2)10(4)9(17-7-3)11-8-12-10/h8H,5-7H2,1-4H3
InChIKeyFMIOPTCYVAUADV-UHFFFAOYSA-N
XLogP3.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole?
The IUPAC name of 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole (CID 15495868) is 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole.
What is the SMILES notation for 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole?
The canonical SMILES for 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole is CCOP(=O)(OCC)C1(C)N=CN=C1SCC.
What is the InChIKey of 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole?
The InChIKey is FMIOPTCYVAUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N2O3PS/c1-5-14-16(13,15-6-2)10(4)9(17-7-3)11-8-12-10/h8H,5-7H2,1-4H3.
What are the key properties of 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole?
4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole has a molecular weight of 278.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-5-ethylsulfanyl-4-methylimidazole is sourced from PubChem (CID 15495868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).