(4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane

C26H23OPS — CID 15372235

IUPAC(4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane
SMILESCc1ccc(S(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23OPS/c1-22-17-19-26(20-18-22)29(27)21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3
InChIKeyRIHSNAVITCSMKM-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.86
Rot. Bonds5

About (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane

(4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane (PubChem CID 15372235) has the molecular formula C26H23OPS and a molecular weight of 414.51 g/mol. Its IUPAC name is (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane
PubChem CID15372235
Molecular FormulaC26H23OPS
Molecular Weight414.51 g/mol
Exact Mass414.12
IUPAC Name(4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane
SMILESCc1ccc(S(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H23OPS/c1-22-17-19-26(20-18-22)29(27)21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3
InChIKeyRIHSNAVITCSMKM-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
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 (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane?
The IUPAC name of (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane (CID 15372235) is (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane.
What is the SMILES notation for (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane?
The canonical SMILES for (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane is Cc1ccc(S(=O)C=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane?
The InChIKey is RIHSNAVITCSMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23OPS/c1-22-17-19-26(20-18-22)29(27)21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-21H,1H3.
What are the key properties of (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane?
(4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane has a molecular weight of 414.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)sulfinylmethylidene-triphenyl-λ5-phosphane is sourced from PubChem (CID 15372235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).