3-(2-nitrophenyl)thiophene

C10H7NO2S — CID 11367733

IUPAC3-(2-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccccc1-c1ccsc1
InChIInChI=1S/C10H7NO2S/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h1-7H
InChIKeyGXUWDORJDTWORO-UHFFFAOYSA-N
MW205.24 g/mol
LogP3.32
Rot. Bonds2

About 3-(2-nitrophenyl)thiophene

3-(2-nitrophenyl)thiophene (PubChem CID 11367733) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-(2-nitrophenyl)thiophene.

Molecular Properties

Compound Name3-(2-nitrophenyl)thiophene
PubChem CID11367733
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name3-(2-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccccc1-c1ccsc1
InChIInChI=1S/C10H7NO2S/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h1-7H
InChIKeyGXUWDORJDTWORO-UHFFFAOYSA-N
XLogP3.32
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2-nitrophenyl)thiophene?
The IUPAC name of 3-(2-nitrophenyl)thiophene (CID 11367733) is 3-(2-nitrophenyl)thiophene.
What is the SMILES notation for 3-(2-nitrophenyl)thiophene?
The canonical SMILES for 3-(2-nitrophenyl)thiophene is O=[N+]([O-])c1ccccc1-c1ccsc1.
What is the InChIKey of 3-(2-nitrophenyl)thiophene?
The InChIKey is GXUWDORJDTWORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-11(13)10-4-2-1-3-9(10)8-5-6-14-7-8/h1-7H.
What are the key properties of 3-(2-nitrophenyl)thiophene?
3-(2-nitrophenyl)thiophene has a molecular weight of 205.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)thiophene is sourced from PubChem (CID 11367733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).