2-nitro-3-thiophen-3-ylthiophene

C8H5NO2S2 — CID 901431

IUPAC2-nitro-3-thiophen-3-ylthiophene
SMILESO=[N+]([O-])c1sccc1-c1ccsc1
InChIInChI=1S/C8H5NO2S2/c10-9(11)8-7(2-4-13-8)6-1-3-12-5-6/h1-5H
InChIKeyGHDFKBUTMGVFKL-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.38
Rot. Bonds2

About 2-nitro-3-thiophen-3-ylthiophene

2-nitro-3-thiophen-3-ylthiophene (PubChem CID 901431) has the molecular formula C8H5NO2S2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-nitro-3-thiophen-3-ylthiophene.

Molecular Properties

Compound Name2-nitro-3-thiophen-3-ylthiophene
PubChem CID901431
Molecular FormulaC8H5NO2S2
Molecular Weight211.27 g/mol
Exact Mass210.98
IUPAC Name2-nitro-3-thiophen-3-ylthiophene
SMILESO=[N+]([O-])c1sccc1-c1ccsc1
InChIInChI=1S/C8H5NO2S2/c10-9(11)8-7(2-4-13-8)6-1-3-12-5-6/h1-5H
InChIKeyGHDFKBUTMGVFKL-UHFFFAOYSA-N
XLogP3.38
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-thiophen-3-ylthiophene?
The IUPAC name of 2-nitro-3-thiophen-3-ylthiophene (CID 901431) is 2-nitro-3-thiophen-3-ylthiophene.
What is the SMILES notation for 2-nitro-3-thiophen-3-ylthiophene?
The canonical SMILES for 2-nitro-3-thiophen-3-ylthiophene is O=[N+]([O-])c1sccc1-c1ccsc1.
What is the InChIKey of 2-nitro-3-thiophen-3-ylthiophene?
The InChIKey is GHDFKBUTMGVFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S2/c10-9(11)8-7(2-4-13-8)6-1-3-12-5-6/h1-5H.
What are the key properties of 2-nitro-3-thiophen-3-ylthiophene?
2-nitro-3-thiophen-3-ylthiophene has a molecular weight of 211.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-thiophen-3-ylthiophene is sourced from PubChem (CID 901431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).