4-diphenylphosphinothioylpentan-2-one

C17H19OPS — CID 134862641

IUPAC4-diphenylphosphinothioylpentan-2-one
SMILESCC(=O)CC(C)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19OPS/c1-14(18)13-15(2)19(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13H2,1-2H3
InChIKeySQHZCVVVHPMPEK-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.48
Rot. Bonds5

About 4-diphenylphosphinothioylpentan-2-one

4-diphenylphosphinothioylpentan-2-one (PubChem CID 134862641) has the molecular formula C17H19OPS and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-diphenylphosphinothioylpentan-2-one.

Molecular Properties

Compound Name4-diphenylphosphinothioylpentan-2-one
PubChem CID134862641
Molecular FormulaC17H19OPS
Molecular Weight302.38 g/mol
Exact Mass302.09
IUPAC Name4-diphenylphosphinothioylpentan-2-one
SMILESCC(=O)CC(C)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19OPS/c1-14(18)13-15(2)19(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13H2,1-2H3
InChIKeySQHZCVVVHPMPEK-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphinothioylpentan-2-one?
The IUPAC name of 4-diphenylphosphinothioylpentan-2-one (CID 134862641) is 4-diphenylphosphinothioylpentan-2-one.
What is the SMILES notation for 4-diphenylphosphinothioylpentan-2-one?
The canonical SMILES for 4-diphenylphosphinothioylpentan-2-one is CC(=O)CC(C)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphinothioylpentan-2-one?
The InChIKey is SQHZCVVVHPMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19OPS/c1-14(18)13-15(2)19(20,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13H2,1-2H3.
What are the key properties of 4-diphenylphosphinothioylpentan-2-one?
4-diphenylphosphinothioylpentan-2-one has a molecular weight of 302.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphinothioylpentan-2-one is sourced from PubChem (CID 134862641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).