ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane

C6H15O2PS2 — CID 12874117

IUPACethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCOP(O)(=S)SCC(C)C
InChIInChI=1S/C6H15O2PS2/c1-4-8-9(7,10)11-5-6(2)3/h6H,4-5H2,1-3H3,(H,7,10)
InChIKeyAEVHKBMBEIQSHK-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.63
Rot. Bonds5

About ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane

ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 12874117) has the molecular formula C6H15O2PS2 and a molecular weight of 214.29 g/mol. Its IUPAC name is ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID12874117
Molecular FormulaC6H15O2PS2
Molecular Weight214.29 g/mol
Exact Mass214.03
IUPAC Nameethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCOP(O)(=S)SCC(C)C
InChIInChI=1S/C6H15O2PS2/c1-4-8-9(7,10)11-5-6(2)3/h6H,4-5H2,1-3H3,(H,7,10)
InChIKeyAEVHKBMBEIQSHK-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane (CID 12874117) is ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane is CCOP(O)(=S)SCC(C)C.
What is the InChIKey of ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is AEVHKBMBEIQSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O2PS2/c1-4-8-9(7,10)11-5-6(2)3/h6H,4-5H2,1-3H3,(H,7,10).
What are the key properties of ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane?
ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 214.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 12874117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).