methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate

C9H12NO4PS — CID 24846016

IUPACmethyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
SMILESCOC(=O)c1ccccc1OP(N)(=S)OC
InChIInChI=1S/C9H12NO4PS/c1-12-9(11)7-5-3-4-6-8(7)14-15(10,16)13-2/h3-6H,1-2H3,(H2,10,16)
InChIKeyYPONVGNSHPUIOP-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate

methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate (PubChem CID 24846016) has the molecular formula C9H12NO4PS and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
PubChem CID24846016
Molecular FormulaC9H12NO4PS
Molecular Weight261.24 g/mol
Exact Mass261.02
IUPAC Namemethyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate
SMILESCOC(=O)c1ccccc1OP(N)(=S)OC
InChIInChI=1S/C9H12NO4PS/c1-12-9(11)7-5-3-4-6-8(7)14-15(10,16)13-2/h3-6H,1-2H3,(H2,10,16)
InChIKeyYPONVGNSHPUIOP-UHFFFAOYSA-N
XLogP1.68
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate 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 methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate?
The IUPAC name of methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate (CID 24846016) is methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate.
What is the SMILES notation for methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate?
The canonical SMILES for methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate is COC(=O)c1ccccc1OP(N)(=S)OC.
What is the InChIKey of methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate?
The InChIKey is YPONVGNSHPUIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO4PS/c1-12-9(11)7-5-3-4-6-8(7)14-15(10,16)13-2/h3-6H,1-2H3,(H2,10,16).
What are the key properties of methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate?
methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate has a molecular weight of 261.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[amino(methoxy)phosphinothioyl]oxybenzoate is sourced from PubChem (CID 24846016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).