butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane

C6H15O2PS2 — CID 12918771

IUPACbutan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)SC(C)CC
InChIInChI=1S/C6H15O2PS2/c1-4-6(3)11-9(7,10)8-5-2/h6H,4-5H2,1-3H3,(H,7,10)
InChIKeyYYPLZQKYFQVODF-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.77
Rot. Bonds5

About butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane

butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane (PubChem CID 12918771) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namebutan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
PubChem CID12918771
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Namebutan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)SC(C)CC
InChIInChI=1S/C6H15O2PS2/c1-4-6(3)11-9(7,10)8-5-2/h6H,4-5H2,1-3H3,(H,7,10)
InChIKeyYYPLZQKYFQVODF-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane
CID 88599545
1-diethoxyphosphinothioylsulfanyl-2-methylpropane-1-thiol
CID 23616274
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
CID 88829017
CID 88829017
4-ethylhexan-2-ylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 175356054
CID 88829598
CID 88829598
(2S)-2-[3-chloropropylsulfanyl(ethoxy)phosphoryl]sulfanylbutane
CID 22811655
di(propan-2-yl)phosphanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23418853
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040

Frequently Asked Questions

What is the IUPAC name of butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane (CID 12918771) is butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane is CCOP(O)(=S)SC(C)CC.
What is the InChIKey of butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
The InChIKey is YYPLZQKYFQVODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-4-6(3)11-9(7,10)8-5-2/h6H,4-5H2,1-3H3,(H,7,10).
What are the key properties of butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane?
butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane has a molecular weight of 214.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12918771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).