2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid

C9H6ClNO3S2 — CID 54039760

IUPAC2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid
SMILESCON=C(C(=O)O)c1cc2sc(Cl)cc2s1
InChIInChI=1S/C9H6ClNO3S2/c1-14-11-8(9(12)13)6-2-4-5(15-6)3-7(10)16-4/h2-3H,1H3,(H,12,13)
InChIKeyLLMSJNWNAMSBFC-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.05
Rot. Bonds3

About 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid

2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid (PubChem CID 54039760) has the molecular formula C9H6ClNO3S2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid.

Molecular Properties

Compound Name2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid
PubChem CID54039760
Molecular FormulaC9H6ClNO3S2
Molecular Weight275.74 g/mol
Exact Mass274.95
IUPAC Name2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid
SMILESCON=C(C(=O)O)c1cc2sc(Cl)cc2s1
InChIInChI=1S/C9H6ClNO3S2/c1-14-11-8(9(12)13)6-2-4-5(15-6)3-7(10)16-4/h2-3H,1H3,(H,12,13)
InChIKeyLLMSJNWNAMSBFC-UHFFFAOYSA-N
XLogP3.05
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid?
The IUPAC name of 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid (CID 54039760) is 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid.
What is the SMILES notation for 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid?
The canonical SMILES for 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid is CON=C(C(=O)O)c1cc2sc(Cl)cc2s1.
What is the InChIKey of 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid?
The InChIKey is LLMSJNWNAMSBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3S2/c1-14-11-8(9(12)13)6-2-4-5(15-6)3-7(10)16-4/h2-3H,1H3,(H,12,13).
What are the key properties of 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid?
2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid has a molecular weight of 275.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothieno[3,2-b]thiophen-2-yl)-2-methoxyiminoacetic acid is sourced from PubChem (CID 54039760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).