ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate

C18H21N2O3PS — CID 3392640

IUPACethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate
SMILESCCOC(=O)C(/N=N/c1ccccc1)P(=O)(SCC)c1ccccc1
InChIInChI=1S/C18H21N2O3PS/c1-3-23-18(21)17(20-19-15-11-7-5-8-12-15)24(22,25-4-2)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3/b20-19+
InChIKeyMUUDIMFJTPKOLL-FMQUCBEESA-N
MW376.42 g/mol
LogP5.02
Rot. Bonds8

About ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate

ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate (PubChem CID 3392640) has the molecular formula C18H21N2O3PS and a molecular weight of 376.42 g/mol. Its IUPAC name is ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate.

Molecular Properties

Compound Nameethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate
PubChem CID3392640
Molecular FormulaC18H21N2O3PS
Molecular Weight376.42 g/mol
Exact Mass376.10
IUPAC Nameethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate
SMILESCCOC(=O)C(/N=N/c1ccccc1)P(=O)(SCC)c1ccccc1
InChIInChI=1S/C18H21N2O3PS/c1-3-23-18(21)17(20-19-15-11-7-5-8-12-15)24(22,25-4-2)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3/b20-19+
InChIKeyMUUDIMFJTPKOLL-FMQUCBEESA-N
XLogP5.02
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[ethylsulfanyl(phenyl)phosphoryl]butan-1-ol
CID 13048789
ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
CID 10643311
ethyl 2-[(4-sulfamoylphenyl)diazenyl]-2-[(triphenyl-λ5-phosphanylidene)amino]acetate
CID 91348217
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
ethyl (2R)-3-oxo-2-phenyldiazenyl-3-pyridin-4-ylpropanoate
CID 98572424
ethyl 2-[(4-methylphenyl)diazenyl]-3-oxo-3-phenylpropanoate
CID 54357705
ethyl 2-chloro-2-[(4-fluorophenyl)diazenyl]acetate
CID 54515851
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
ethyl (2R)-4,4,4-trifluoro-2-methyl-3-phenyliminobutanoate
CID 98115152
ethyl (2S)-2,3-bis(dibenzylamino)propanoate
CID 146168369
ethyl 2-(4-phenyldiazenylphenyl)acetate
CID 86675520
ethyl 2-(triphenyl-λ5-phosphanylidene)acetate;hydrobromide
CID 173228193

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate?
The IUPAC name of ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate (CID 3392640) is ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate.
What is the SMILES notation for ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate?
The canonical SMILES for ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate is CCOC(=O)C(/N=N/c1ccccc1)P(=O)(SCC)c1ccccc1.
What is the InChIKey of ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate?
The InChIKey is MUUDIMFJTPKOLL-FMQUCBEESA-N. The full InChI is InChI=1S/C18H21N2O3PS/c1-3-23-18(21)17(20-19-15-11-7-5-8-12-15)24(22,25-4-2)16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3/b20-19+.
What are the key properties of ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate?
ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate has a molecular weight of 376.42 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethylsulfanyl(phenyl)phosphoryl]-2-phenyldiazenylacetate is sourced from PubChem (CID 3392640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).