(4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine

C9H12NO2PS — CID 14249172

IUPAC(4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine
SMILESCOP1(=S)N[C@H](c2ccccc2)CO1
InChIInChI=1S/C9H12NO2PS/c1-11-13(14)10-9(7-12-13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,10,14)/t9-,13?/m0/s1
InChIKeyDCJOYBZPUSUWLA-LLTODGECSA-N
MW229.24 g/mol
LogP2.22
Rot. Bonds2

About (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine

(4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine (PubChem CID 14249172) has the molecular formula C9H12NO2PS and a molecular weight of 229.24 g/mol. Its IUPAC name is (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine.

Molecular Properties

Compound Name(4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine
PubChem CID14249172
Molecular FormulaC9H12NO2PS
Molecular Weight229.24 g/mol
Exact Mass229.03
IUPAC Name(4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine
SMILESCOP1(=S)N[C@H](c2ccccc2)CO1
InChIInChI=1S/C9H12NO2PS/c1-11-13(14)10-9(7-12-13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,10,14)/t9-,13?/m0/s1
InChIKeyDCJOYBZPUSUWLA-LLTODGECSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine?
The IUPAC name of (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine (CID 14249172) is (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine.
What is the SMILES notation for (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine?
The canonical SMILES for (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine is COP1(=S)N[C@H](c2ccccc2)CO1.
What is the InChIKey of (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine?
The InChIKey is DCJOYBZPUSUWLA-LLTODGECSA-N. The full InChI is InChI=1S/C9H12NO2PS/c1-11-13(14)10-9(7-12-13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,10,14)/t9-,13?/m0/s1.
What are the key properties of (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine?
(4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine has a molecular weight of 229.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methoxy-4-phenyl-2-sulfanylidene-1,3,2lambda5-oxazaphospholidine is sourced from PubChem (CID 14249172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).