ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane

C4H10O2PS2- — CID 53249491

IUPACethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)SCC
InChIInChI=1S/C4H11O2PS2/c1-3-6-7(5,8)9-4-2/h3-4H2,1-2H3,(H,5,8)/p-1
InChIKeyOILHDBLLQZLFFI-UHFFFAOYSA-M
MW185.23 g/mol
LogP1.36
Rot. Bonds4

About ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane

ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane (PubChem CID 53249491) has the molecular formula C4H10O2PS2- and a molecular weight of 185.23 g/mol. Its IUPAC name is ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane
PubChem CID53249491
Molecular FormulaC4H10O2PS2-
Molecular Weight185.23 g/mol
Exact Mass184.99
IUPAC Nameethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane
SMILESCCOP([O-])(=S)SCC
InChIInChI=1S/C4H11O2PS2/c1-3-6-7(5,8)9-4-2/h3-4H2,1-2H3,(H,5,8)/p-1
InChIKeyOILHDBLLQZLFFI-UHFFFAOYSA-M
XLogP1.36
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Phorate
CID 4790
O,O-Diethyl S-methyl dithiophosphate
CID 18682
Phosphonothioic acid, P-methyl-, O,S-diethyl ester
CID 520177
Ethyl phosphorodithioate (6CI,7CI)
CID 17306
Demeton-O-methyl
CID 13346
O,O,S-triethyl phosphorothioate
CID 14459
O-ethyl O-methyl S-propylphosphorothioate (metabolite of ethoprop)
CID 77098499
O,S,S-triethyl phosphorodithioate
CID 150999
Diethylthiophosphoryl chloride
CID 12549197
Demephion-O
CID 115123
Phosphorotrithioic acid, O,S,S-triethyl ester
CID 76871
O-Ethyl S-(2-(ethylthio)ethyl) O-methyl phosphorodithioate
CID 81920

Frequently Asked Questions

What is the IUPAC name of ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane (CID 53249491) is ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane is CCOP([O-])(=S)SCC.
What is the InChIKey of ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is OILHDBLLQZLFFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O2PS2/c1-3-6-7(5,8)9-4-2/h3-4H2,1-2H3,(H,5,8)/p-1.
What are the key properties of ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane?
ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 185.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethylsulfanyl-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 53249491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).