methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate

C10H14NO4PS — CID 24846015

IUPACmethyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate
SMILESCCOP(N)(=S)Oc1ccccc1C(=O)OC
InChIInChI=1S/C10H14NO4PS/c1-3-14-16(11,17)15-9-7-5-4-6-8(9)10(12)13-2/h4-7H,3H2,1-2H3,(H2,11,17)
InChIKeyWKNGQSZPKRQEPS-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.07
Rot. Bonds5

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

methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate (PubChem CID 24846015) has the molecular formula C10H14NO4PS and a molecular weight of 275.27 g/mol. Its IUPAC name is methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate
PubChem CID24846015
Molecular FormulaC10H14NO4PS
Molecular Weight275.27 g/mol
Exact Mass275.04
IUPAC Namemethyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate
SMILESCCOP(N)(=S)Oc1ccccc1C(=O)OC
InChIInChI=1S/C10H14NO4PS/c1-3-14-16(11,17)15-9-7-5-4-6-8(9)10(12)13-2/h4-7H,3H2,1-2H3,(H2,11,17)
InChIKeyWKNGQSZPKRQEPS-UHFFFAOYSA-N
XLogP2.07
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate?
The IUPAC name of methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate (CID 24846015) is methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate.
What is the SMILES notation for methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate?
The canonical SMILES for methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate is CCOP(N)(=S)Oc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate?
The InChIKey is WKNGQSZPKRQEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO4PS/c1-3-14-16(11,17)15-9-7-5-4-6-8(9)10(12)13-2/h4-7H,3H2,1-2H3,(H2,11,17).
What are the key properties of methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate?
methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate has a molecular weight of 275.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[amino(ethoxy)phosphinothioyl]oxybenzoate is sourced from PubChem (CID 24846015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).