diphenylphosphane;thiolane

C16H19PS — CID 174886019

IUPACdiphenylphosphane;thiolane
SMILESC1CCSC1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C4H8S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10,13H;1-4H2
InChIKeyPTGNGCUVGFCQPA-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.83
Rot. Bonds2

About diphenylphosphane;thiolane

diphenylphosphane;thiolane (PubChem CID 174886019) has the molecular formula C16H19PS and a molecular weight of 274.37 g/mol. Its IUPAC name is diphenylphosphane;thiolane.

Molecular Properties

Compound Namediphenylphosphane;thiolane
PubChem CID174886019
Molecular FormulaC16H19PS
Molecular Weight274.37 g/mol
Exact Mass274.09
IUPAC Namediphenylphosphane;thiolane
SMILESC1CCSC1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C4H8S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10,13H;1-4H2
InChIKeyPTGNGCUVGFCQPA-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.83
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 diphenylphosphane;thiolane?
The IUPAC name of diphenylphosphane;thiolane (CID 174886019) is diphenylphosphane;thiolane.
What is the SMILES notation for diphenylphosphane;thiolane?
The canonical SMILES for diphenylphosphane;thiolane is C1CCSC1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of diphenylphosphane;thiolane?
The InChIKey is PTGNGCUVGFCQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C4H8S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10,13H;1-4H2.
What are the key properties of diphenylphosphane;thiolane?
diphenylphosphane;thiolane has a molecular weight of 274.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;thiolane is sourced from PubChem (CID 174886019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).