methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane

C17H15PS — CID 23421632

IUPACmethyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane
SMILESCP(=S)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H15PS/c1-18(19,16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3
InChIKeyBVRDCPYTMNRCRH-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.90
Rot. Bonds2

About methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane

methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane (PubChem CID 23421632) has the molecular formula C17H15PS and a molecular weight of 282.35 g/mol. Its IUPAC name is methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namemethyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane
PubChem CID23421632
Molecular FormulaC17H15PS
Molecular Weight282.35 g/mol
Exact Mass282.06
IUPAC Namemethyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane
SMILESCP(=S)(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H15PS/c1-18(19,16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3
InChIKeyBVRDCPYTMNRCRH-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane (CID 23421632) is methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane is CP(=S)(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane?
The InChIKey is BVRDCPYTMNRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15PS/c1-18(19,16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3.
What are the key properties of methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane?
methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane has a molecular weight of 282.35 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23421632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).