diethylphosphinothious acid

C4H11PS — CID 15897956

IUPACdiethylphosphinothious acid
SMILESCCP(S)CC
InChIInChI=1S/C4H11PS/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
InChIKeyPNOAWSVGDJKQBI-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.35
Rot. Bonds2

About diethylphosphinothious acid

diethylphosphinothious acid (PubChem CID 15897956) has the molecular formula C4H11PS and a molecular weight of 122.17 g/mol. Its IUPAC name is diethylphosphinothious acid.

Molecular Properties

Compound Namediethylphosphinothious acid
PubChem CID15897956
Molecular FormulaC4H11PS
Molecular Weight122.17 g/mol
Exact Mass122.03
IUPAC Namediethylphosphinothious acid
SMILESCCP(S)CC
InChIInChI=1S/C4H11PS/c1-3-5(6)4-2/h6H,3-4H2,1-2H3
InChIKeyPNOAWSVGDJKQBI-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylphosphinothious acid?
The IUPAC name of diethylphosphinothious acid (CID 15897956) is diethylphosphinothious acid.
What is the SMILES notation for diethylphosphinothious acid?
The canonical SMILES for diethylphosphinothious acid is CCP(S)CC.
What is the InChIKey of diethylphosphinothious acid?
The InChIKey is PNOAWSVGDJKQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11PS/c1-3-5(6)4-2/h6H,3-4H2,1-2H3.
What are the key properties of diethylphosphinothious acid?
diethylphosphinothious acid has a molecular weight of 122.17 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphinothious acid is sourced from PubChem (CID 15897956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).