diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane

C4H11O2PS2 — CID 9274

IUPACdiethoxy-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(S)OCC
InChIInChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)
InChIKeyIRDLUHRVLVEUHA-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.21
Rot. Bonds4

About diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane

diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 9274) has the molecular formula C4H11O2PS2 and a molecular weight of 186.24 g/mol. Its IUPAC name is diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-sulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID9274
Molecular FormulaC4H11O2PS2
Molecular Weight186.24 g/mol
Exact Mass185.99
IUPAC Namediethoxy-sulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(S)OCC
InChIInChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)
InChIKeyIRDLUHRVLVEUHA-UHFFFAOYSA-N
XLogP2.21
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O,O-Diethyl S-methyl dithiophosphate
CID 18682
Triethyl phosphite
CID 31215
O,O-diethyl phosphorochloridothioate
CID 17305
O,O-diethyl phosphorothioate
CID 655
Diethyl thiophosphate
CID 3683036
Dipropyl dithiophosphate
CID 16737
o,o-diethyl thiophosphate potassium salt
CID 23664334
O,O-Bis(1-methylethyl) phosphorodithioate
CID 7876
O,O',O''-Triethyl phosphorothioate
CID 31354
Sodium diethyl phosphorodithioate
CID 11321726
Ammonium ethyl phosphorodithioate
CID 14036
Phosphonothioic acid, methyl-, O,o-diethyl ester
CID 23426

Frequently Asked Questions

What is the IUPAC name of diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane (CID 9274) is diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane is CCOP(=S)(S)OCC.
What is the InChIKey of diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is IRDLUHRVLVEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9).
What are the key properties of diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane?
diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 186.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 9274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).