dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane

C7H18O6P2S2 — CID 175277312

IUPACdihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)COCCOP(O)(=S)OP(O)(O)=S
InChIInChI=1S/C7H18O6P2S2/c1-7(2,3)6-11-4-5-12-15(10,17)13-14(8,9)16/h4-6H2,1-3H3,(H,10,17)(H2,8,9,16)
InChIKeyPOECYIAXHHMTJN-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.51
Rot. Bonds7

About dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane

dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 175277312) has the molecular formula C7H18O6P2S2 and a molecular weight of 324.30 g/mol. Its IUPAC name is dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID175277312
Molecular FormulaC7H18O6P2S2
Molecular Weight324.30 g/mol
Exact Mass324.00
IUPAC Namedihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)(C)COCCOP(O)(=S)OP(O)(O)=S
InChIInChI=1S/C7H18O6P2S2/c1-7(2,3)6-11-4-5-12-15(10,17)13-14(8,9)16/h4-6H2,1-3H3,(H,10,17)(H2,8,9,16)
InChIKeyPOECYIAXHHMTJN-UHFFFAOYSA-N
XLogP1.51
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
CID 87720487
2,2-dimethylpropoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 59024930
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,2-dimethylpropane
CID 166572083
1-[2-[2-[2-[2-(2,2-dimethylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 131972620
2,2-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134553502
azane;2-butoxyethoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 175188464
bis(dihydroxyphosphinothioyloxy)-hydroxy-sulfanylidene-λ5-phosphane;zinc
CID 174957487
1-[2-[3-(2,2-dimethylpropoxy)propoxy]ethoxy]-3,3-dimethylbutane
CID 176614157
boric acid;2,2-dimethyl-1-(2-propan-2-yloxyethoxy)propane
CID 175110139
bis(bis[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11520753
1-[2-(2,2-dimethylpropoxy)ethoxy]hexadecane
CID 175012315
tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 165033493

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane (CID 175277312) is dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane is CC(C)(C)COCCOP(O)(=S)OP(O)(O)=S.
What is the InChIKey of dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is POECYIAXHHMTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O6P2S2/c1-7(2,3)6-11-4-5-12-15(10,17)13-14(8,9)16/h4-6H2,1-3H3,(H,10,17)(H2,8,9,16).
What are the key properties of dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane?
dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 324.30 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphinothioyloxy-[2-(2,2-dimethylpropoxy)ethoxy]-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 175277312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).