(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane

C12H17OPS — CID 69259732

IUPAC(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane
SMILESCOC[C@H]1CCC[P@]1(=S)c1ccccc1
InChIInChI=1S/C12H17OPS/c1-13-10-12-8-5-9-14(12,15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m1/s1
InChIKeyRVJFURYVFLYYIW-OCCSQVGLSA-N
MW240.31 g/mol
LogP2.60
Rot. Bonds3

About (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane

(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane (PubChem CID 69259732) has the molecular formula C12H17OPS and a molecular weight of 240.31 g/mol. Its IUPAC name is (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane.

Molecular Properties

Compound Name(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane
PubChem CID69259732
Molecular FormulaC12H17OPS
Molecular Weight240.31 g/mol
Exact Mass240.07
IUPAC Name(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane
SMILESCOC[C@H]1CCC[P@]1(=S)c1ccccc1
InChIInChI=1S/C12H17OPS/c1-13-10-12-8-5-9-14(12,15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m1/s1
InChIKeyRVJFURYVFLYYIW-OCCSQVGLSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane?
The IUPAC name of (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane (CID 69259732) is (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane.
What is the SMILES notation for (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane?
The canonical SMILES for (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane is COC[C@H]1CCC[P@]1(=S)c1ccccc1.
What is the InChIKey of (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane?
The InChIKey is RVJFURYVFLYYIW-OCCSQVGLSA-N. The full InChI is InChI=1S/C12H17OPS/c1-13-10-12-8-5-9-14(12,15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m1/s1.
What are the key properties of (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane?
(1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane has a molecular weight of 240.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(methoxymethyl)-1-phenyl-1-sulfanylidene-1λ5-phospholane is sourced from PubChem (CID 69259732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).