5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride

C13H7ClOS3 — CID 58729671

IUPAC5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C13H7ClOS3/c14-13(15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H
InChIKeyOKGNULYLVUOXBJ-UHFFFAOYSA-N
MW310.85 g/mol
LogP5.58
Rot. Bonds3

About 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride

5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride (PubChem CID 58729671) has the molecular formula C13H7ClOS3 and a molecular weight of 310.85 g/mol. Its IUPAC name is 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride.

Molecular Properties

Compound Name5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
PubChem CID58729671
Molecular FormulaC13H7ClOS3
Molecular Weight310.85 g/mol
Exact Mass309.93
IUPAC Name5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C13H7ClOS3/c14-13(15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H
InChIKeyOKGNULYLVUOXBJ-UHFFFAOYSA-N
XLogP5.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.85
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride?
The IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride (CID 58729671) is 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride.
What is the SMILES notation for 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride?
The canonical SMILES for 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride is O=C(Cl)c1ccc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride?
The InChIKey is OKGNULYLVUOXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClOS3/c14-13(15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H.
What are the key properties of 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride?
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride has a molecular weight of 310.85 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride is sourced from PubChem (CID 58729671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).