azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane

C4H14NO2PS2 — CID 14036

IUPACazanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane
SMILESCCOP(=S)([S-])OCC.[NH4+]
InChIInChI=1S/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3
InChIKeyHFRHTRKMBOQLLL-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.21
Rot. Bonds4

About azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane

azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane (PubChem CID 14036) has the molecular formula C4H14NO2PS2 and a molecular weight of 203.27 g/mol. Its IUPAC name is azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane.

Molecular Properties

Compound Nameazanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane
PubChem CID14036
Molecular FormulaC4H14NO2PS2
Molecular Weight203.27 g/mol
Exact Mass203.02
IUPAC Nameazanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane
SMILESCCOP(=S)([S-])OCC.[NH4+]
InChIInChI=1S/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3
InChIKeyHFRHTRKMBOQLLL-UHFFFAOYSA-N
XLogP2.21
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane?
The IUPAC name of azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane (CID 14036) is azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane.
What is the SMILES notation for azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane?
The canonical SMILES for azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane is CCOP(=S)([S-])OCC.[NH4+].
What is the InChIKey of azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane?
The InChIKey is HFRHTRKMBOQLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2PS2.H3N/c1-3-5-7(8,9)6-4-2;/h3-4H2,1-2H3,(H,8,9);1H3.
What are the key properties of azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane?
azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane has a molecular weight of 203.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium diethoxy-sulfanylidene-sulfido-lambda5-phosphane is sourced from PubChem (CID 14036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).