ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane

C5H13O2PS2 — CID 10659877

IUPACethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(O)(=S)OCC
InChIInChI=1S/C5H13O2PS2/c1-3-5-10-8(6,9)7-4-2/h3-5H2,1-2H3,(H,6,9)
InChIKeyPFRQPEFBPFBASI-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.38
Rot. Bonds5

About ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane

ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 10659877) has the molecular formula C5H13O2PS2 and a molecular weight of 200.26 g/mol. Its IUPAC name is ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID10659877
Molecular FormulaC5H13O2PS2
Molecular Weight200.26 g/mol
Exact Mass200.01
IUPAC Nameethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCSP(O)(=S)OCC
InChIInChI=1S/C5H13O2PS2/c1-3-5-10-8(6,9)7-4-2/h3-5H2,1-2H3,(H,6,9)
InChIKeyPFRQPEFBPFBASI-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-Ethyl S-propyl phosphorothioic acid (Metabolite of ethoprop)
CID 182032
Ethyl phosphorodithioate (6CI,7CI)
CID 17306
O-ethyl O-methyl S-propylphosphorothioate (metabolite of ethoprop)
CID 77098499
O,S,S-triethyl phosphorodithioate
CID 150999
Demephion-O
CID 115123
Phosphorochloridodithioic acid, O-ethyl S-propyl ester
CID 170605
Diethyldithiophosphate
CID 53249491
O-ethyl S-methyl S-propyl phosphorodithioate
CID 13020001
Dithiophosphoric acid diethyl ester
CID 10563242
Dibutyl dithio phosphate
CID 13932584
O-ethyl S-propyl phosphonothioate
CID 20691922
Sodium oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 23715677

Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane (CID 10659877) is ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane is CCCSP(O)(=S)OCC.
What is the InChIKey of ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is PFRQPEFBPFBASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS2/c1-3-5-10-8(6,9)7-4-2/h3-5H2,1-2H3,(H,6,9).
What are the key properties of ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 200.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-propylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 10659877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).