2-(3-nitro-4-thiophen-2-ylphenyl)thiophene

C14H9NO2S2 — CID 22765600

IUPAC2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
SMILESO=[N+]([O-])c1cc(-c2cccs2)ccc1-c1cccs1
InChIInChI=1S/C14H9NO2S2/c16-15(17)12-9-10(13-3-1-7-18-13)5-6-11(12)14-4-2-8-19-14/h1-9H
InChIKeyISWUCVWCUICRFT-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.05
Rot. Bonds3

About 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene

2-(3-nitro-4-thiophen-2-ylphenyl)thiophene (PubChem CID 22765600) has the molecular formula C14H9NO2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene.

Molecular Properties

Compound Name2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
PubChem CID22765600
Molecular FormulaC14H9NO2S2
Molecular Weight287.37 g/mol
Exact Mass287.01
IUPAC Name2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
SMILESO=[N+]([O-])c1cc(-c2cccs2)ccc1-c1cccs1
InChIInChI=1S/C14H9NO2S2/c16-15(17)12-9-10(13-3-1-7-18-13)5-6-11(12)14-4-2-8-19-14/h1-9H
InChIKeyISWUCVWCUICRFT-UHFFFAOYSA-N
XLogP5.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Nitrobenzo[b]thiophene
CID 28520
2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 53330118
5-Nitro-1-benzothiophene
CID 12414084
Thiophene, 3-(2-nitrophenyl)-
CID 11367733
2-(2-Nitrophenyl)-1-benzothiophene
CID 14912770
2-(4-Methyl-2-nitrophenyl)-1-benzothiophene
CID 46228130
2-(4-Nitrophenyl)thiophene
CID 609512
3-(4-Fluoro-2-nitrophenyl)thiophene
CID 44249286
3-(5-Fluoro-2-nitrophenyl)thiophene
CID 44249287
4-(4-Fluoro-2-nitrophenyl)-2-nitrothiophene
CID 44249395
4-(5-Fluoro-2-nitrophenyl)-2-nitrothiophene
CID 44249396
3-(4-Fluoro-2-nitrophenyl)-2-nitrothiophene
CID 44249507

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene?
The IUPAC name of 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene (CID 22765600) is 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene.
What is the SMILES notation for 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene?
The canonical SMILES for 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene is O=[N+]([O-])c1cc(-c2cccs2)ccc1-c1cccs1.
What is the InChIKey of 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene?
The InChIKey is ISWUCVWCUICRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S2/c16-15(17)12-9-10(13-3-1-7-18-13)5-6-11(12)14-4-2-8-19-14/h1-9H.
What are the key properties of 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene?
2-(3-nitro-4-thiophen-2-ylphenyl)thiophene has a molecular weight of 287.37 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-4-thiophen-2-ylphenyl)thiophene is sourced from PubChem (CID 22765600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).