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

C7H15O2PS4 — CID 170710488

IUPACmethoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane
SMILESCOP(=S)(S)O[C@@H]1[C@H](C)SSC1(C)C
InChIInChI=1S/C7H15O2PS4/c1-5-6(7(2,3)14-13-5)9-10(11,12)8-4/h5-6H,1-4H3,(H,11,12)/t5-,6+/m0/s1
InChIKeyJMGBQTWWCAFTAZ-NTSWFWBYSA-N
MW290.44 g/mol
LogP3.73
Rot. Bonds3

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

methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane (PubChem CID 170710488) has the molecular formula C7H15O2PS4 and a molecular weight of 290.44 g/mol. Its IUPAC name is methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane.

Molecular Properties

Compound Namemethoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane
PubChem CID170710488
Molecular FormulaC7H15O2PS4
Molecular Weight290.44 g/mol
Exact Mass289.97
IUPAC Namemethoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane
SMILESCOP(=S)(S)O[C@@H]1[C@H](C)SSC1(C)C
InChIInChI=1S/C7H15O2PS4/c1-5-6(7(2,3)14-13-5)9-10(11,12)8-4/h5-6H,1-4H3,(H,11,12)/t5-,6+/m0/s1
InChIKeyJMGBQTWWCAFTAZ-NTSWFWBYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.73
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane?
The IUPAC name of methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane (CID 170710488) is methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane.
What is the SMILES notation for methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane?
The canonical SMILES for methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane is COP(=S)(S)O[C@@H]1[C@H](C)SSC1(C)C.
What is the InChIKey of methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane?
The InChIKey is JMGBQTWWCAFTAZ-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H15O2PS4/c1-5-6(7(2,3)14-13-5)9-10(11,12)8-4/h5-6H,1-4H3,(H,11,12)/t5-,6+/m0/s1.
What are the key properties of methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane?
methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane has a molecular weight of 290.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-sulfanyl-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]oxy-λ5-phosphane is sourced from PubChem (CID 170710488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).