(triphenyl-λ4-sulfanyl)phosphonic acid

C18H17O3PS — CID 22572124

IUPAC(triphenyl-λ4-sulfanyl)phosphonic acid
SMILESO=P(O)(O)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17O3PS/c19-22(20,21)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,19,20,21)
InChIKeyAKYMMNBVJGGKDQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.06
Rot. Bonds4

About (triphenyl-λ4-sulfanyl)phosphonic acid

(triphenyl-λ4-sulfanyl)phosphonic acid (PubChem CID 22572124) has the molecular formula C18H17O3PS and a molecular weight of 344.37 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl)phosphonic acid.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl)phosphonic acid
PubChem CID22572124
Molecular FormulaC18H17O3PS
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name(triphenyl-λ4-sulfanyl)phosphonic acid
SMILESO=P(O)(O)S(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17O3PS/c19-22(20,21)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,19,20,21)
InChIKeyAKYMMNBVJGGKDQ-UHFFFAOYSA-N
XLogP5.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl)phosphonic acid?
The IUPAC name of (triphenyl-λ4-sulfanyl)phosphonic acid (CID 22572124) is (triphenyl-λ4-sulfanyl)phosphonic acid.
What is the SMILES notation for (triphenyl-λ4-sulfanyl)phosphonic acid?
The canonical SMILES for (triphenyl-λ4-sulfanyl)phosphonic acid is O=P(O)(O)S(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (triphenyl-λ4-sulfanyl)phosphonic acid?
The InChIKey is AKYMMNBVJGGKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17O3PS/c19-22(20,21)23(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,19,20,21).
What are the key properties of (triphenyl-λ4-sulfanyl)phosphonic acid?
(triphenyl-λ4-sulfanyl)phosphonic acid has a molecular weight of 344.37 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl)phosphonic acid is sourced from PubChem (CID 22572124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).