(thiophen-2-ylmethylideneamino)methylphosphonic acid

C6H8NO3PS — CID 70480868

IUPAC(thiophen-2-ylmethylideneamino)methylphosphonic acid
SMILESO=P(O)(O)CN=Cc1cccs1
InChIInChI=1S/C6H8NO3PS/c8-11(9,10)5-7-4-6-2-1-3-12-6/h1-4H,5H2,(H2,8,9,10)
InChIKeyAPZFIDPLFMLUAN-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.30
Rot. Bonds3

About (thiophen-2-ylmethylideneamino)methylphosphonic acid

(thiophen-2-ylmethylideneamino)methylphosphonic acid (PubChem CID 70480868) has the molecular formula C6H8NO3PS and a molecular weight of 205.17 g/mol. Its IUPAC name is (thiophen-2-ylmethylideneamino)methylphosphonic acid.

Molecular Properties

Compound Name(thiophen-2-ylmethylideneamino)methylphosphonic acid
PubChem CID70480868
Molecular FormulaC6H8NO3PS
Molecular Weight205.17 g/mol
Exact Mass205.00
IUPAC Name(thiophen-2-ylmethylideneamino)methylphosphonic acid
SMILESO=P(O)(O)CN=Cc1cccs1
InChIInChI=1S/C6H8NO3PS/c8-11(9,10)5-7-4-6-2-1-3-12-6/h1-4H,5H2,(H2,8,9,10)
InChIKeyAPZFIDPLFMLUAN-UHFFFAOYSA-N
XLogP1.30
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (thiophen-2-ylmethylideneamino)methylphosphonic acid?
The IUPAC name of (thiophen-2-ylmethylideneamino)methylphosphonic acid (CID 70480868) is (thiophen-2-ylmethylideneamino)methylphosphonic acid.
What is the SMILES notation for (thiophen-2-ylmethylideneamino)methylphosphonic acid?
The canonical SMILES for (thiophen-2-ylmethylideneamino)methylphosphonic acid is O=P(O)(O)CN=Cc1cccs1.
What is the InChIKey of (thiophen-2-ylmethylideneamino)methylphosphonic acid?
The InChIKey is APZFIDPLFMLUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO3PS/c8-11(9,10)5-7-4-6-2-1-3-12-6/h1-4H,5H2,(H2,8,9,10).
What are the key properties of (thiophen-2-ylmethylideneamino)methylphosphonic acid?
(thiophen-2-ylmethylideneamino)methylphosphonic acid has a molecular weight of 205.17 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (thiophen-2-ylmethylideneamino)methylphosphonic acid is sourced from PubChem (CID 70480868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).