2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane

C10H23O3PS2 — CID 3063122

IUPAC2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCCCSCCOP(=S)(OCC)OCC
InChIInChI=1S/C10H23O3PS2/c1-4-7-9-16-10-8-13-14(15,11-5-2)12-6-3/h4-10H2,1-3H3
InChIKeyDWTNJSOEZCCGQW-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.83
Rot. Bonds11

About 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane

2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane (PubChem CID 3063122) has the molecular formula C10H23O3PS2 and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane
PubChem CID3063122
Molecular FormulaC10H23O3PS2
Molecular Weight286.40 g/mol
Exact Mass286.08
IUPAC Name2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane
SMILESCCCCSCCOP(=S)(OCC)OCC
InChIInChI=1S/C10H23O3PS2/c1-4-7-9-16-10-8-13-14(15,11-5-2)12-6-3/h4-10H2,1-3H3
InChIKeyDWTNJSOEZCCGQW-UHFFFAOYSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

azane;tripentoxy(sulfanylidene)-λ5-phosphane
CID 88758051
2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 23447081
1-butylsulfanylbutane;hydroiodide
CID 160789075
CID 88794374
CID 88794374
1-[2-[2-[2-(2-butylsulfanylethoxy)ethoxy]ethoxy]ethoxy]butane
CID 4194759
dibutoxy-dodecylsulfanyloxy-sulfanylidene-λ5-phosphane
CID 150946102
1-[2-(2-octylsulfanylethoxy)ethylsulfanyl]octane
CID 175705255
2-(2-butylsulfanylethoxy)ethanol
CID 3743869
[ethoxy(2-nonylsulfanylethoxy)phosphoryl]cyclohexane
CID 71395209
4-dodecylsulfanylbutyl dihydrogen phosphate
CID 142701975
4-hexylsulfanylbutyl dihydrogen phosphate
CID 142701984
potassium butylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 88816879

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane (CID 3063122) is 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane is CCCCSCCOP(=S)(OCC)OCC.
What is the InChIKey of 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane?
The InChIKey is DWTNJSOEZCCGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3PS2/c1-4-7-9-16-10-8-13-14(15,11-5-2)12-6-3/h4-10H2,1-3H3.
What are the key properties of 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane?
2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane has a molecular weight of 286.40 g/mol, XLogP of 3.83, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3063122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).