[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene

C14H15O2PS2 — CID 28292

IUPAC[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
SMILESCCOP(=O)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyAWZOLILCOUMRDG-UHFFFAOYSA-N
MW310.38 g/mol
LogP5.72
Rot. Bonds6

About [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene

[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene (PubChem CID 28292) has the molecular formula C14H15O2PS2 and a molecular weight of 310.38 g/mol. Its IUPAC name is [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene.

Molecular Properties

Compound Name[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
PubChem CID28292
Molecular FormulaC14H15O2PS2
Molecular Weight310.38 g/mol
Exact Mass310.03
IUPAC Name[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
SMILESCCOP(=O)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyAWZOLILCOUMRDG-UHFFFAOYSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.38
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[ethoxy(phenylsulfanyl)phosphoryl]oxybenzene
CID 67093206
diethyl phenylsulfanyl phosphate
CID 141165956
dibutoxyphosphorylsulfanylbenzene
CID 12968047
[(Z)-1-diethoxyphosphoryl-1-fluorobut-1-en-2-yl]sulfanylbenzene
CID 101038517
bis(phenylsulfanyl)phosphoryl dihydrogen phosphate
CID 87474292
difluorophosphorylsulfanylbenzene
CID 23416246
[ethyl(phenylsulfanyl)phosphoryl]oxybenzene
CID 66677428
[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene
CID 90676738
2-diethoxyphosphorylethylbenzene
CID 3448525
[heptylsulfanyl(2-methylpropoxy)phosphoryl]sulfanylbenzene;zinc
CID 67861989
[(E)-2-chloro-1-diethoxyphosphorylprop-1-enyl]sulfanylbenzene
CID 13310544
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one;[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
CID 67920676

Frequently Asked Questions

What is the IUPAC name of [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene?
The IUPAC name of [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene (CID 28292) is [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene.
What is the SMILES notation for [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene?
The canonical SMILES for [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene is CCOP(=O)(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene?
The InChIKey is AWZOLILCOUMRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene?
[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene has a molecular weight of 310.38 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene is sourced from PubChem (CID 28292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).