hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane

C7H15O3PS3 — CID 170710452

IUPAChydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane
SMILESCOP(O)(=S)O[C@@H]1[C@H](C)SSC1(C)C
InChIInChI=1S/C7H15O3PS3/c1-5-6(7(2,3)14-13-5)10-11(8,12)9-4/h5-6H,1-4H3,(H,8,12)/t5-,6+,11?/m0/s1
InChIKeyJLDLLCSAGHAXCN-CXPMQJMOSA-N
MW274.37 g/mol
LogP2.80
Rot. Bonds3

About hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane

hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane (PubChem CID 170710452) has the molecular formula C7H15O3PS3 and a molecular weight of 274.37 g/mol. Its IUPAC name is hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane
PubChem CID170710452
Molecular FormulaC7H15O3PS3
Molecular Weight274.37 g/mol
Exact Mass273.99
IUPAC Namehydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane
SMILESCOP(O)(=S)O[C@@H]1[C@H](C)SSC1(C)C
InChIInChI=1S/C7H15O3PS3/c1-5-6(7(2,3)14-13-5)10-11(8,12)9-4/h5-6H,1-4H3,(H,8,12)/t5-,6+,11?/m0/s1
InChIKeyJLDLLCSAGHAXCN-CXPMQJMOSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-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

Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane?
The IUPAC name of hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane (CID 170710452) is hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane.
What is the SMILES notation for hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane?
The canonical SMILES for hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane is COP(O)(=S)O[C@@H]1[C@H](C)SSC1(C)C.
What is the InChIKey of hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane?
The InChIKey is JLDLLCSAGHAXCN-CXPMQJMOSA-N. The full InChI is InChI=1S/C7H15O3PS3/c1-5-6(7(2,3)14-13-5)10-11(8,12)9-4/h5-6H,1-4H3,(H,8,12)/t5-,6+,11?/m0/s1.
What are the key properties of hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane?
hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane has a molecular weight of 274.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane is sourced from PubChem (CID 170710452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).