5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate

C12H7O3S4- — CID 19788970

IUPAC5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C12H8O3S4/c13-19(14,15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H,(H,13,14,15)/p-1
InChIKeyBAQISYFHWOMZPJ-UHFFFAOYSA-M
MW327.45 g/mol
LogP4.11
Rot. Bonds3

About 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate

5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate (PubChem CID 19788970) has the molecular formula C12H7O3S4- and a molecular weight of 327.45 g/mol. Its IUPAC name is 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate.

Molecular Properties

Compound Name5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate
PubChem CID19788970
Molecular FormulaC12H7O3S4-
Molecular Weight327.45 g/mol
Exact Mass326.93
IUPAC Name5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C12H8O3S4/c13-19(14,15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H,(H,13,14,15)/p-1
InChIKeyBAQISYFHWOMZPJ-UHFFFAOYSA-M
XLogP4.11
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carbonyl chloride
CID 58729671
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
5-(2,6-diphenylpyrylium-4-yl)thiophene-2-sulfonate
CID 3722061
2-(5-thiophen-2-ylthiophen-2-yl)thiophene-3,4-dicarbaldehyde
CID 87118157
2-(5-thiophen-2-ylthiophen-2-yl)cyclobutene-1-carbaldehyde
CID 122234024
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912
2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841

Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate?
The IUPAC name of 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate (CID 19788970) is 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate.
What is the SMILES notation for 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate?
The canonical SMILES for 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate is O=S(=O)([O-])c1ccc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate?
The InChIKey is BAQISYFHWOMZPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8O3S4/c13-19(14,15)12-6-5-11(18-12)10-4-3-9(17-10)8-2-1-7-16-8/h1-7H,(H,13,14,15)/p-1.
What are the key properties of 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate?
5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate has a molecular weight of 327.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-sulfonate is sourced from PubChem (CID 19788970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).