methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane

C13H13PS3 — CID 15055137

IUPACmethyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCP(=S)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C13H13PS3/c1-14(15,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyKZQONMWSNAFMEA-UHFFFAOYSA-N
MW296.42 g/mol
LogP5.51
Rot. Bonds4

About methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane

methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 15055137) has the molecular formula C13H13PS3 and a molecular weight of 296.42 g/mol. Its IUPAC name is methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namemethyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID15055137
Molecular FormulaC13H13PS3
Molecular Weight296.42 g/mol
Exact Mass295.99
IUPAC Namemethyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCP(=S)(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C13H13PS3/c1-14(15,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyKZQONMWSNAFMEA-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.42
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 15055137) is methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane is CP(=S)(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is KZQONMWSNAFMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13PS3/c1-14(15,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane?
methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 296.42 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 15055137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).