bis(phenylsulfanyl)phosphoryl dihydrogen phosphate

C12H12O5P2S2 — CID 87474292

IUPACbis(phenylsulfanyl)phosphoryl dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C12H12O5P2S2/c13-18(14,15)17-19(16,20-11-7-3-1-4-8-11)21-12-9-5-2-6-10-12/h1-10H,(H2,13,14,15)
InChIKeyOVMUFOMPYWLJKX-UHFFFAOYSA-N
MW362.31 g/mol
LogP4.79
Rot. Bonds6

About bis(phenylsulfanyl)phosphoryl dihydrogen phosphate

bis(phenylsulfanyl)phosphoryl dihydrogen phosphate (PubChem CID 87474292) has the molecular formula C12H12O5P2S2 and a molecular weight of 362.31 g/mol. Its IUPAC name is bis(phenylsulfanyl)phosphoryl dihydrogen phosphate.

Molecular Properties

Compound Namebis(phenylsulfanyl)phosphoryl dihydrogen phosphate
PubChem CID87474292
Molecular FormulaC12H12O5P2S2
Molecular Weight362.31 g/mol
Exact Mass361.96
IUPAC Namebis(phenylsulfanyl)phosphoryl dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C12H12O5P2S2/c13-18(14,15)17-19(16,20-11-7-3-1-4-8-11)21-12-9-5-2-6-10-12/h1-10H,(H2,13,14,15)
InChIKeyOVMUFOMPYWLJKX-UHFFFAOYSA-N
XLogP4.79
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
CID 28292
difluorophosphorylsulfanylbenzene
CID 23416246
[dihydroxy(phenylimino)-λ5-phosphanyl] dihydrogen phosphate
CID 87474721
methane;phenyl phosphono hydrogen phosphate
CID 88820079
benzene-1,2,3-triol;diphosphono hydrogen phosphate
CID 87864287
[phenylsulfanyl(phosphono)methyl]phosphonic acid
CID 13305339
[phenylmethoxy(phenylsulfanyl)phosphoryl]oxymethylbenzene
CID 90676738
CID 131875092
CID 131875092
[benzylimino(dihydroxy)-λ5-phosphanyl] dihydrogen phosphate
CID 87475279
[(2E,6E)-3,7-dimethyl-8-phenylsulfanylocta-2,6-dienyl] phosphono hydrogen phosphate
CID 123132253
chlorobenzene;chloro dihydrogen phosphate
CID 67722958

Frequently Asked Questions

What is the IUPAC name of bis(phenylsulfanyl)phosphoryl dihydrogen phosphate?
The IUPAC name of bis(phenylsulfanyl)phosphoryl dihydrogen phosphate (CID 87474292) is bis(phenylsulfanyl)phosphoryl dihydrogen phosphate.
What is the SMILES notation for bis(phenylsulfanyl)phosphoryl dihydrogen phosphate?
The canonical SMILES for bis(phenylsulfanyl)phosphoryl dihydrogen phosphate is O=P(O)(O)OP(=O)(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of bis(phenylsulfanyl)phosphoryl dihydrogen phosphate?
The InChIKey is OVMUFOMPYWLJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O5P2S2/c13-18(14,15)17-19(16,20-11-7-3-1-4-8-11)21-12-9-5-2-6-10-12/h1-10H,(H2,13,14,15).
What are the key properties of bis(phenylsulfanyl)phosphoryl dihydrogen phosphate?
bis(phenylsulfanyl)phosphoryl dihydrogen phosphate has a molecular weight of 362.31 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)phosphoryl dihydrogen phosphate is sourced from PubChem (CID 87474292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).