ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride

C2H9Cl2O3PS — CID 88641033

IUPACethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
SMILESCCOP(O)(O)=S.Cl.Cl
InChIInChI=1S/C2H7O3PS.2ClH/c1-2-5-6(3,4)7;;/h2H2,1H3,(H2,3,4,7);2*1H
InChIKeyCWJISFXBHNDSCO-UHFFFAOYSA-N
MW215.04 g/mol
LogP1.08
Rot. Bonds2

About ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride

ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride (PubChem CID 88641033) has the molecular formula C2H9Cl2O3PS and a molecular weight of 215.04 g/mol. Its IUPAC name is ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride.

Molecular Properties

Compound Nameethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
PubChem CID88641033
Molecular FormulaC2H9Cl2O3PS
Molecular Weight215.04 g/mol
Exact Mass213.94
IUPAC Nameethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
SMILESCCOP(O)(O)=S.Cl.Cl
InChIInChI=1S/C2H7O3PS.2ClH/c1-2-5-6(3,4)7;;/h2H2,1H3,(H2,3,4,7);2*1H
InChIKeyCWJISFXBHNDSCO-UHFFFAOYSA-N
XLogP1.08
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;propane-1,3-diamine;dihydrate
CID 174642469
azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
CID 173276202
ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 118426700
diethoxy-fluoro-sulfanylidene-λ5-phosphane
CID 11263763
diethoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229302
diethoxy-methanidyl-sulfanylidene-λ5-phosphane
CID 23416615
CID 156593652
CID 156593652
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
ethoxy-hydroxy-propan-2-ylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12882339
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262

Frequently Asked Questions

What is the IUPAC name of ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride?
The IUPAC name of ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride (CID 88641033) is ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride.
What is the SMILES notation for ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride?
The canonical SMILES for ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride is CCOP(O)(O)=S.Cl.Cl.
What is the InChIKey of ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride?
The InChIKey is CWJISFXBHNDSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7O3PS.2ClH/c1-2-5-6(3,4)7;;/h2H2,1H3,(H2,3,4,7);2*1H.
What are the key properties of ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride?
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride has a molecular weight of 215.04 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride is sourced from PubChem (CID 88641033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).