[diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene

C17H21O3PSTe — CID 134873343

IUPAC[diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene
SMILESCCOP(=O)(OCC)C(Sc1ccccc1)[Te]c1ccccc1
InChIInChI=1S/C17H21O3PSTe/c1-3-19-21(18,20-4-2)17(22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKeyRYNJLROGZKCSIN-UHFFFAOYSA-N
MW463.99 g/mol
LogP4.36
Rot. Bonds9

About [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene

[diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene (PubChem CID 134873343) has the molecular formula C17H21O3PSTe and a molecular weight of 463.99 g/mol. Its IUPAC name is [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene.

Molecular Properties

Compound Name[diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene
PubChem CID134873343
Molecular FormulaC17H21O3PSTe
Molecular Weight463.99 g/mol
Exact Mass466.00
IUPAC Name[diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene
SMILESCCOP(=O)(OCC)C(Sc1ccccc1)[Te]c1ccccc1
InChIInChI=1S/C17H21O3PSTe/c1-3-19-21(18,20-4-2)17(22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3
InChIKeyRYNJLROGZKCSIN-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Edifenphos
CID 28292
Diethyl phenylthiomethylphosphonate
CID 99227
Phosphoric acid, diethyl 1-(phenylthio)vinyl ester
CID 200572
Diethyl ((phenylsulfonyl)methyl)phosphonate
CID 10891636
Phosphonic acid, ((ethylthio)(phenylthio)methylene)bis-, tetraethyl ester
CID 3047930
Diethyl (phenylthiomethyl-13C)phosphonate
CID 87229060
(Diethoxyphosphoryl-fluoromethyl)sulfanylbenzene
CID 10468769
Diethoxyphosphoryl-methylsulfinyl-benzene
CID 10858739
Bis(2,2,2-trifluoroethoxy)phosphorylmethylsulfanylbenzene
CID 11046828
[Diethoxyphosphoryl(fluoro)methyl]sulfinylbenzene
CID 13866148
(Diethoxyphosphoryl-fluoro-phenylsulfanylmethyl)benzene
CID 101266506
1-[Diethoxyphosphoryl(difluoro)methyl]sulfanyl-4-fluorobenzene
CID 176438314

Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene?
The IUPAC name of [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene (CID 134873343) is [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene.
What is the SMILES notation for [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene?
The canonical SMILES for [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene is CCOP(=O)(OCC)C(Sc1ccccc1)[Te]c1ccccc1.
What is the InChIKey of [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene?
The InChIKey is RYNJLROGZKCSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O3PSTe/c1-3-19-21(18,20-4-2)17(22-15-11-7-5-8-12-15)23-16-13-9-6-10-14-16/h5-14,17H,3-4H2,1-2H3.
What are the key properties of [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene?
[diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene has a molecular weight of 463.99 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene is sourced from PubChem (CID 134873343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).