lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene

C17H20LiO3PSTe — CID 134873342

IUPAClithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene
SMILESCCOP(=O)(OCC)[C-](Sc1ccccc1)[Te]c1ccccc1.[Li+]
InChIInChI=1S/C17H20O3PSTe.Li/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;/h5-14H,3-4H2,1-2H3;/q-1;+1
InChIKeyRWQYVIVGFHYYEQ-UHFFFAOYSA-N
MW469.93 g/mol
LogP1.53
Rot. Bonds9

About lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene

lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene (PubChem CID 134873342) has the molecular formula C17H20LiO3PSTe and a molecular weight of 469.93 g/mol. Its IUPAC name is lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene.

Molecular Properties

Compound Namelithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene
PubChem CID134873342
Molecular FormulaC17H20LiO3PSTe
Molecular Weight469.93 g/mol
Exact Mass472.01
IUPAC Namelithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene
SMILESCCOP(=O)(OCC)[C-](Sc1ccccc1)[Te]c1ccccc1.[Li+]
InChIInChI=1S/C17H20O3PSTe.Li/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;/h5-14H,3-4H2,1-2H3;/q-1;+1
InChIKeyRWQYVIVGFHYYEQ-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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
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
(Diethoxyphosphoryl-fluoro-phenylsulfanylmethyl)benzene
CID 101266506
1-[Diethoxyphosphoryl(difluoro)methyl]sulfanyl-4-fluorobenzene
CID 176438314
[Diethoxyphosphoryl(phenylsulfanyl)methyl]sulfanylmethylbenzene
CID 10091310
[Diethoxyphosphoryl(propylsulfanyl)methyl]sulfanylbenzene
CID 10314841
[Diethoxyphosphoryl(propan-2-ylsulfanyl)methyl]sulfanylbenzene
CID 10427017

Frequently Asked Questions

What is the IUPAC name of lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene?
The IUPAC name of lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene (CID 134873342) is lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene.
What is the SMILES notation for lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene?
The canonical SMILES for lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene is CCOP(=O)(OCC)[C-](Sc1ccccc1)[Te]c1ccccc1.[Li+].
What is the InChIKey of lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene?
The InChIKey is RWQYVIVGFHYYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3PSTe.Li/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;/h5-14H,3-4H2,1-2H3;/q-1;+1.
What are the key properties of lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene?
lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene has a molecular weight of 469.93 g/mol, XLogP of 1.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [diethoxyphosphoryl(phenyltellanyl)methyl]sulfanylbenzene is sourced from PubChem (CID 134873342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).