2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid

C8H5NO3S2 — CID 90847279

IUPAC2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
SMILESC1=CSC2=C1C=C(S2)C(=NO)C(=O)O
InChIInChI=1S/C8H5NO3S2/c10-7(11)6(9-12)5-3-4-1-2-13-8(4)14-5/h1-3,12H,(H,10,11)
InChIKeyOSQJMUIOAVWNDI-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.50
Rot. Bonds2

About 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid

2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid (PubChem CID 90847279) has the molecular formula C8H5NO3S2 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid.

Molecular Properties

Compound Name2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
PubChem CID90847279
Molecular FormulaC8H5NO3S2
Molecular Weight227.30 g/mol
Exact Mass226.97
IUPAC Name2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
SMILESC1=CSC2=C1C=C(S2)C(=NO)C(=O)O
InChIInChI=1S/C8H5NO3S2/c10-7(11)6(9-12)5-3-4-1-2-13-8(4)14-5/h1-3,12H,(H,10,11)
InChIKeyOSQJMUIOAVWNDI-UHFFFAOYSA-N
XLogP3.50
TPSA126.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity282

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{5-[(Hydroxyimino)(2-thienyl)methyl]-2-thienyl}acetic acid
CID 5338266
(Hydroxyimino)[5-(2-phenylethyl)-2-thienyl]acetic acid
CID 6407459
(2Z)-2-methoxyimino-2-thieno[3,2-b]thiophen-5-ylacetic acid
CID 18602126
2-Methoxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
CID 53862897
alpha-Methoxyimino-alpha-(thieno[3,2-b]thien-2-yl)acetic acid
CID 54501988
(2Z)-2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
CID 87919600
(2Z)-2-(1-benzothiophen-2-yl)-2-hydroxyiminoacetic acid
CID 88304080
2-(1-Benzothiophen-3-yl)-2-hydroxyiminoacetic acid
CID 88304081
(2Z)-2-methoxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid
CID 88688742
2-Thieno[2,3-b]thiophen-5-ylacetic acid
CID 96759687
2-(1-Benzothiophen-2-yl)-2-hydroxyiminoacetic acid
CID 145801774
2-[5-[(E)-N-hydroxy-C-thiophen-2-ylcarbonimidoyl]thiophen-2-yl]acetic acid
CID 6326519

Frequently Asked Questions

What is the IUPAC name of 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid?
The IUPAC name of 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid (CID 90847279) is 2-hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid.
What is the SMILES notation for 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid?
The canonical SMILES for 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid is C1=CSC2=C1C=C(S2)C(=NO)C(=O)O.
What is the InChIKey of 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid?
The InChIKey is OSQJMUIOAVWNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S2/c10-7(11)6(9-12)5-3-4-1-2-13-8(4)14-5/h1-3,12H,(H,10,11).
What are the key properties of 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid?
2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid has a molecular weight of 227.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Hydroxyimino-2-thieno[2,3-b]thiophen-5-ylacetic acid is sourced from PubChem (CID 90847279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).