2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol

C12H9Cl2NOS — CID 89325133

IUPAC2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol
SMILES[H]/N=C(\C)c1csc(-c2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C12H9Cl2NOS/c1-6(15)8-5-17-12(11(8)16)7-2-3-9(13)10(14)4-7/h2-5,15-16H,1H3/b15-6+
InChIKeyDFQPCZHCAFXCGV-GIDUJCDVSA-N
MW286.18 g/mol
LogP4.82
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol

2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol (PubChem CID 89325133) has the molecular formula C12H9Cl2NOS and a molecular weight of 286.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol
PubChem CID89325133
Molecular FormulaC12H9Cl2NOS
Molecular Weight286.18 g/mol
Exact Mass284.98
IUPAC Name2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol
SMILES[H]/N=C(\C)c1csc(-c2ccc(Cl)c(Cl)c2)c1O
InChIInChI=1S/C12H9Cl2NOS/c1-6(15)8-5-17-12(11(8)16)7-2-3-9(13)10(14)4-7/h2-5,15-16H,1H3/b15-6+
InChIKeyDFQPCZHCAFXCGV-GIDUJCDVSA-N
XLogP4.82
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol (CID 89325133) is 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol is [H]/N=C(\C)c1csc(-c2ccc(Cl)c(Cl)c2)c1O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol?
The InChIKey is DFQPCZHCAFXCGV-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H9Cl2NOS/c1-6(15)8-5-17-12(11(8)16)7-2-3-9(13)10(14)4-7/h2-5,15-16H,1H3/b15-6+.
What are the key properties of 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol?
2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol has a molecular weight of 286.18 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-ethanimidoylthiophen-3-ol is sourced from PubChem (CID 89325133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).