butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane

C6H15O2PS2 — CID 13314943

IUPACbutylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
SMILESCCCCSP(O)(=S)OCC
InChIInChI=1S/C6H15O2PS2/c1-3-5-6-11-9(7,10)8-4-2/h3-6H2,1-2H3,(H,7,10)
InChIKeyJQIGBGJAIIVMAE-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.77
Rot. Bonds6

About butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane

butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane (PubChem CID 13314943) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebutylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
PubChem CID13314943
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Namebutylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
SMILESCCCCSP(O)(=S)OCC
InChIInChI=1S/C6H15O2PS2/c1-3-5-6-11-9(7,10)8-4-2/h3-6H2,1-2H3,(H,7,10)
InChIKeyJQIGBGJAIIVMAE-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,S,S-triethyl phosphorodithioate
CID 150999
Demephion-O
CID 115123
O-ethyl O-methyl S-propylphosphorothioate (metabolite of ethoprop)
CID 77098499
Diethyldithiophosphate
CID 53249491
O-ethyl S-methyl S-propyl phosphorodithioate
CID 13020001
Dithiophosphoric acid diethyl ester
CID 10563242
Phosphorochloridodithioic acid, O-ethyl S-propyl ester
CID 170605
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 butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane (CID 13314943) is butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane is CCCCSP(O)(=S)OCC.
What is the InChIKey of butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The InChIKey is JQIGBGJAIIVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-3-5-6-11-9(7,10)8-4-2/h3-6H2,1-2H3,(H,7,10).
What are the key properties of butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane has a molecular weight of 214.29 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13314943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).