butylsulfanylmethylidene(triphenyl)-λ5-phosphane

C23H25PS — CID 21391222

IUPACbutylsulfanylmethylidene(triphenyl)-λ5-phosphane
SMILESCCCCSC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25PS/c1-2-3-19-25-20-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20H,2-3,19H2,1H3
InChIKeyGLTFSVVBQFQHMR-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.27
Rot. Bonds7

About butylsulfanylmethylidene(triphenyl)-λ5-phosphane

butylsulfanylmethylidene(triphenyl)-λ5-phosphane (PubChem CID 21391222) has the molecular formula C23H25PS and a molecular weight of 364.49 g/mol. Its IUPAC name is butylsulfanylmethylidene(triphenyl)-λ5-phosphane.

Molecular Properties

Compound Namebutylsulfanylmethylidene(triphenyl)-λ5-phosphane
PubChem CID21391222
Molecular FormulaC23H25PS
Molecular Weight364.49 g/mol
Exact Mass364.14
IUPAC Namebutylsulfanylmethylidene(triphenyl)-λ5-phosphane
SMILESCCCCSC=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H25PS/c1-2-3-19-25-20-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20H,2-3,19H2,1H3
InChIKeyGLTFSVVBQFQHMR-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butylsulfanylmethylidene(triphenyl)-λ5-phosphane?
The IUPAC name of butylsulfanylmethylidene(triphenyl)-λ5-phosphane (CID 21391222) is butylsulfanylmethylidene(triphenyl)-λ5-phosphane.
What is the SMILES notation for butylsulfanylmethylidene(triphenyl)-λ5-phosphane?
The canonical SMILES for butylsulfanylmethylidene(triphenyl)-λ5-phosphane is CCCCSC=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of butylsulfanylmethylidene(triphenyl)-λ5-phosphane?
The InChIKey is GLTFSVVBQFQHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25PS/c1-2-3-19-25-20-24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20H,2-3,19H2,1H3.
What are the key properties of butylsulfanylmethylidene(triphenyl)-λ5-phosphane?
butylsulfanylmethylidene(triphenyl)-λ5-phosphane has a molecular weight of 364.49 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanylmethylidene(triphenyl)-λ5-phosphane is sourced from PubChem (CID 21391222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).