ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane

C3H10O4P2S2 — CID 118426700

IUPACethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(O)(=S)OP(C)(O)=S
InChIInChI=1S/C3H10O4P2S2/c1-3-6-9(5,11)7-8(2,4)10/h3H2,1-2H3,(H,4,10)(H,5,11)
InChIKeyMGYCHYXRHGJSSG-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.19
Rot. Bonds4

About ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane

ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane (PubChem CID 118426700) has the molecular formula C3H10O4P2S2 and a molecular weight of 236.19 g/mol. Its IUPAC name is ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
PubChem CID118426700
Molecular FormulaC3H10O4P2S2
Molecular Weight236.19 g/mol
Exact Mass235.95
IUPAC Nameethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(O)(=S)OP(C)(O)=S
InChIInChI=1S/C3H10O4P2S2/c1-3-6-9(5,11)7-8(2,4)10/h3H2,1-2H3,(H,4,10)(H,5,11)
InChIKeyMGYCHYXRHGJSSG-UHFFFAOYSA-N
XLogP1.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;diethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 14449583
hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane
CID 87476531
diethoxy-hydroxy-sulfanylidene-λ5-phosphane;N,N-diethylethanamine
CID 173276202
ethoxy-dihydroxy-sulfanylidene-λ5-phosphane;dihydrochloride
CID 88641033
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
bis(diethoxy-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11319040
diethoxy-[ethoxy(methoxymethyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 53297399
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;methoxymethane
CID 87974989
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;propane-1,3-diol
CID 87872569
hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane
CID 87476601
ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 12608714
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442

Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane (CID 118426700) is ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane is CCOP(O)(=S)OP(C)(O)=S.
What is the InChIKey of ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane?
The InChIKey is MGYCHYXRHGJSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O4P2S2/c1-3-6-9(5,11)7-8(2,4)10/h3H2,1-2H3,(H,4,10)(H,5,11).
What are the key properties of ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane?
ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane has a molecular weight of 236.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 118426700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).