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

C7H15O2PS4 — CID 170710447

IUPAChydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane
SMILESCOP(O)(=S)S[C@@H]1[C@H](C)SSC1(C)C
InChIInChI=1S/C7H15O2PS4/c1-5-6(7(2,3)14-13-5)12-10(8,11)9-4/h5-6H,1-4H3,(H,8,11)/t5-,6+,10?/m0/s1
InChIKeyATRYZIILAXMWKD-HIJFXMFQSA-N
MW290.44 g/mol
LogP3.51
Rot. Bonds3

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

hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane (PubChem CID 170710447) has the molecular formula C7H15O2PS4 and a molecular weight of 290.44 g/mol. Its IUPAC name is hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane
PubChem CID170710447
Molecular FormulaC7H15O2PS4
Molecular Weight290.44 g/mol
Exact Mass289.97
IUPAC Namehydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane
SMILESCOP(O)(=S)S[C@@H]1[C@H](C)SSC1(C)C
InChIInChI=1S/C7H15O2PS4/c1-5-6(7(2,3)14-13-5)12-10(8,11)9-4/h5-6H,1-4H3,(H,8,11)/t5-,6+,10?/m0/s1
InChIKeyATRYZIILAXMWKD-HIJFXMFQSA-N
XLogP3.51
TPSA29.46 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 ≤ 53.51
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'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane?
The IUPAC name of hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane (CID 170710447) is hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane.
What is the SMILES notation for hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane?
The canonical SMILES for hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane is COP(O)(=S)S[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]sulfanyl-λ5-phosphane?
The InChIKey is ATRYZIILAXMWKD-HIJFXMFQSA-N. The full InChI is InChI=1S/C7H15O2PS4/c1-5-6(7(2,3)14-13-5)12-10(8,11)9-4/h5-6H,1-4H3,(H,8,11)/t5-,6+,10?/m0/s1.
What are the key properties of hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane?
hydroxy-methoxy-sulfanylidene-[(4R,5S)-3,3,5-trimethyldithiolan-4-yl]sulfanyl-λ5-phosphane has a molecular weight of 290.44 g/mol, XLogP of 3.51, 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]sulfanyl-λ5-phosphane is sourced from PubChem (CID 170710447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).