di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane

C16H15PS — CID 102245857

IUPACdi(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C16H15PS/c18-17(15-10-4-5-11-15,16-12-6-7-13-16)14-8-2-1-3-9-14/h1-13,15-16H
InChIKeyPCDJAYMJPMMMHV-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.78
Rot. Bonds3

About di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane

di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 102245857) has the molecular formula C16H15PS and a molecular weight of 270.34 g/mol. Its IUPAC name is di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedi(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane
PubChem CID102245857
Molecular FormulaC16H15PS
Molecular Weight270.34 g/mol
Exact Mass270.06
IUPAC Namedi(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane
SMILESS=P(c1ccccc1)(C1C=CC=C1)C1C=CC=C1
InChIInChI=1S/C16H15PS/c18-17(15-10-4-5-11-15,16-12-6-7-13-16)14-8-2-1-3-9-14/h1-13,15-16H
InChIKeyPCDJAYMJPMMMHV-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.78
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 di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane (CID 102245857) is di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane is S=P(c1ccccc1)(C1C=CC=C1)C1C=CC=C1.
What is the InChIKey of di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is PCDJAYMJPMMMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15PS/c18-17(15-10-4-5-11-15,16-12-6-7-13-16)14-8-2-1-3-9-14/h1-13,15-16H.
What are the key properties of di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane?
di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 270.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 102245857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).