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

C5H13O2PS2 — CID 12882339

IUPACethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)SC(C)C
InChIInChI=1S/C5H13O2PS2/c1-4-7-8(6,9)10-5(2)3/h5H,4H2,1-3H3,(H,6,9)
InChIKeyGPNNLGKHXCZADX-UHFFFAOYSA-N
MW200.26 g/mol
LogP2.38
Rot. Bonds4

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

ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 12882339) has the molecular formula C5H13O2PS2 and a molecular weight of 200.26 g/mol. Its IUPAC name is ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID12882339
Molecular FormulaC5H13O2PS2
Molecular Weight200.26 g/mol
Exact Mass200.01
IUPAC Nameethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCOP(O)(=S)SC(C)C
InChIInChI=1S/C5H13O2PS2/c1-4-7-8(6,9)10-5(2)3/h5H,4H2,1-3H3,(H,6,9)
InChIKeyGPNNLGKHXCZADX-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

butan-2-ylsulfanyl-ethoxy-hydroxy-sulfanylidene-lambda5-phosphane
CID 12918771
ethoxy-[(3S)-hex-1-yn-3-yl]sulfanyl-hydroxy-sulfanylidene-λ5-phosphane
CID 88599545
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
CID 88829017
CID 88829017
CID 88829598
CID 88829598
1-diethoxyphosphinothioylsulfanyl-2-methylpropane-1-thiol
CID 23616274
potassium butan-2-ylsulfanyl-ethoxy-oxido-sulfanylidene-λ5-phosphane
CID 23699412
potassium;sodium;azane;hydroxy-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane;bis(oxido-propan-2-yloxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane)
CID 173145493
di(propan-2-yl)phosphanyl-diethoxy-sulfanylidene-λ5-phosphane
CID 23418853
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 13296683

Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane (CID 12882339) is ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane is CCOP(O)(=S)SC(C)C.
What is the InChIKey of ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is GPNNLGKHXCZADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS2/c1-4-7-8(6,9)10-5(2)3/h5H,4H2,1-3H3,(H,6,9).
What are the key properties of ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane?
ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 200.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 12882339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).