[phenylsulfanyl(phosphono)methyl]phosphonic acid

C7H10O6P2S — CID 13305339

IUPAC[phenylsulfanyl(phosphono)methyl]phosphonic acid
SMILESO=P(O)(O)C(Sc1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H10O6P2S/c8-14(9,10)7(15(11,12)13)16-6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
InChIKeyVXXPFBLPDLBNGO-UHFFFAOYSA-N
MW284.17 g/mol
LogP1.42
Rot. Bonds4

About [phenylsulfanyl(phosphono)methyl]phosphonic acid

[phenylsulfanyl(phosphono)methyl]phosphonic acid (PubChem CID 13305339) has the molecular formula C7H10O6P2S and a molecular weight of 284.17 g/mol. Its IUPAC name is [phenylsulfanyl(phosphono)methyl]phosphonic acid.

Molecular Properties

Compound Name[phenylsulfanyl(phosphono)methyl]phosphonic acid
PubChem CID13305339
Molecular FormulaC7H10O6P2S
Molecular Weight284.17 g/mol
Exact Mass283.97
IUPAC Name[phenylsulfanyl(phosphono)methyl]phosphonic acid
SMILESO=P(O)(O)C(Sc1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H10O6P2S/c8-14(9,10)7(15(11,12)13)16-6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
InChIKeyVXXPFBLPDLBNGO-UHFFFAOYSA-N
XLogP1.42
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[phosphono(pyridin-3-ylsulfanyl)methyl]phosphonic acid
CID 15170606
[(4-methoxyphenyl)sulfanyl-phosphonomethyl]phosphonic acid
CID 18515645
(2S)-2-hydroxy-2-phenylsulfanylacetic acid
CID 69088951
[(2,3-diethylphenyl)sulfanyl-phosphonomethyl]phosphonic acid
CID 54467976
[[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene
CID 57348808
diphenylphosphinic acid chloride
CID 53401992
[nitroso(phenylsulfanyl)methyl]sulfanylbenzene
CID 123291759
[chloro(phenyl)methyl]sulfanylbenzene
CID 12914700
(2S,3S)-4-diphenylphosphoryl-3-phenylsulfanylbutan-2-ol
CID 10091303
(2S)-2-phenylsulfanylpropanoate
CID 7127744
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805
bis(phenylsulfanyl)phosphoryl dihydrogen phosphate
CID 87474292

Frequently Asked Questions

What is the IUPAC name of [phenylsulfanyl(phosphono)methyl]phosphonic acid?
The IUPAC name of [phenylsulfanyl(phosphono)methyl]phosphonic acid (CID 13305339) is [phenylsulfanyl(phosphono)methyl]phosphonic acid.
What is the SMILES notation for [phenylsulfanyl(phosphono)methyl]phosphonic acid?
The canonical SMILES for [phenylsulfanyl(phosphono)methyl]phosphonic acid is O=P(O)(O)C(Sc1ccccc1)P(=O)(O)O.
What is the InChIKey of [phenylsulfanyl(phosphono)methyl]phosphonic acid?
The InChIKey is VXXPFBLPDLBNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6P2S/c8-14(9,10)7(15(11,12)13)16-6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13).
What are the key properties of [phenylsulfanyl(phosphono)methyl]phosphonic acid?
[phenylsulfanyl(phosphono)methyl]phosphonic acid has a molecular weight of 284.17 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenylsulfanyl(phosphono)methyl]phosphonic acid is sourced from PubChem (CID 13305339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).