diethyl(sulfanylidene)phosphanium

C4H10PS+ — CID 11060129

IUPACdiethyl(sulfanylidene)phosphanium
SMILESCC[P+](=S)CC
InChIInChI=1S/C4H10PS/c1-3-5(6)4-2/h3-4H2,1-2H3/q+1
InChIKeyMXHGTJWECJMHEU-UHFFFAOYSA-N
MW121.16 g/mol
LogP1.97
Rot. Bonds2

About diethyl(sulfanylidene)phosphanium

diethyl(sulfanylidene)phosphanium (PubChem CID 11060129) has the molecular formula C4H10PS+ and a molecular weight of 121.16 g/mol. Its IUPAC name is diethyl(sulfanylidene)phosphanium.

Molecular Properties

Compound Namediethyl(sulfanylidene)phosphanium
PubChem CID11060129
Molecular FormulaC4H10PS+
Molecular Weight121.16 g/mol
Exact Mass121.02
IUPAC Namediethyl(sulfanylidene)phosphanium
SMILESCC[P+](=S)CC
InChIInChI=1S/C4H10PS/c1-3-5(6)4-2/h3-4H2,1-2H3/q+1
InChIKeyMXHGTJWECJMHEU-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 51.97
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 diethyl(sulfanylidene)phosphanium?
The IUPAC name of diethyl(sulfanylidene)phosphanium (CID 11060129) is diethyl(sulfanylidene)phosphanium.
What is the SMILES notation for diethyl(sulfanylidene)phosphanium?
The canonical SMILES for diethyl(sulfanylidene)phosphanium is CC[P+](=S)CC.
What is the InChIKey of diethyl(sulfanylidene)phosphanium?
The InChIKey is MXHGTJWECJMHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10PS/c1-3-5(6)4-2/h3-4H2,1-2H3/q+1.
What are the key properties of diethyl(sulfanylidene)phosphanium?
diethyl(sulfanylidene)phosphanium has a molecular weight of 121.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(sulfanylidene)phosphanium is sourced from PubChem (CID 11060129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).