5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane

CH3O5PS — CID 174678304

IUPAC5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane
SMILESCOP1(=S)OOOO1
InChIInChI=1S/CH3O5PS/c1-2-7(8)5-3-4-6-7/h1H3
InChIKeyJCMUZIULOKXQGO-UHFFFAOYSA-N
MW158.07 g/mol
LogP0.68
Rot. Bonds1

About 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane

5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane (PubChem CID 174678304) has the molecular formula CH3O5PS and a molecular weight of 158.07 g/mol. Its IUPAC name is 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane.

Molecular Properties

Compound Name5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane
PubChem CID174678304
Molecular FormulaCH3O5PS
Molecular Weight158.07 g/mol
Exact Mass157.94
IUPAC Name5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane
SMILESCOP1(=S)OOOO1
InChIInChI=1S/CH3O5PS/c1-2-7(8)5-3-4-6-7/h1H3
InChIKeyJCMUZIULOKXQGO-UHFFFAOYSA-N
XLogP0.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane 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 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane?
The IUPAC name of 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane (CID 174678304) is 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane.
What is the SMILES notation for 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane?
The canonical SMILES for 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane is COP1(=S)OOOO1.
What is the InChIKey of 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane?
The InChIKey is JCMUZIULOKXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O5PS/c1-2-7(8)5-3-4-6-7/h1H3.
What are the key properties of 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane?
5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane has a molecular weight of 158.07 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-sulfanylidene-1,2,3,4,5λ5-tetraoxaphospholane is sourced from PubChem (CID 174678304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).