3-nitro-2-(2-nitrophenyl)thiophene

C10H6N2O4S — CID 46210343

IUPAC3-nitro-2-(2-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccccc1-c1sccc1[N+](=O)[O-]
InChIInChI=1S/C10H6N2O4S/c13-11(14)8-4-2-1-3-7(8)10-9(12(15)16)5-6-17-10/h1-6H
InChIKeyZLHNOASOXITHCS-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.23
Rot. Bonds3

About 3-nitro-2-(2-nitrophenyl)thiophene

3-nitro-2-(2-nitrophenyl)thiophene (PubChem CID 46210343) has the molecular formula C10H6N2O4S and a molecular weight of 250.24 g/mol. Its IUPAC name is 3-nitro-2-(2-nitrophenyl)thiophene.

Molecular Properties

Compound Name3-nitro-2-(2-nitrophenyl)thiophene
PubChem CID46210343
Molecular FormulaC10H6N2O4S
Molecular Weight250.24 g/mol
Exact Mass250.00
IUPAC Name3-nitro-2-(2-nitrophenyl)thiophene
SMILESO=[N+]([O-])c1ccccc1-c1sccc1[N+](=O)[O-]
InChIInChI=1S/C10H6N2O4S/c13-11(14)8-4-2-1-3-7(8)10-9(12(15)16)5-6-17-10/h1-6H
InChIKeyZLHNOASOXITHCS-UHFFFAOYSA-N
XLogP3.23
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-nitro-2-(2-nitrophenyl)thiophene?
The IUPAC name of 3-nitro-2-(2-nitrophenyl)thiophene (CID 46210343) is 3-nitro-2-(2-nitrophenyl)thiophene.
What is the SMILES notation for 3-nitro-2-(2-nitrophenyl)thiophene?
The canonical SMILES for 3-nitro-2-(2-nitrophenyl)thiophene is O=[N+]([O-])c1ccccc1-c1sccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-(2-nitrophenyl)thiophene?
The InChIKey is ZLHNOASOXITHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4S/c13-11(14)8-4-2-1-3-7(8)10-9(12(15)16)5-6-17-10/h1-6H.
What are the key properties of 3-nitro-2-(2-nitrophenyl)thiophene?
3-nitro-2-(2-nitrophenyl)thiophene has a molecular weight of 250.24 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(2-nitrophenyl)thiophene is sourced from PubChem (CID 46210343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).