2-nitro-4-(2-nitroethenyl)thiophene

C6H4N2O4S — CID 2806238

IUPAC2-nitro-4-(2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C=Cc1csc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O4S/c9-7(10)2-1-5-3-6(8(11)12)13-4-5/h1-4H
InChIKeyZQAHUYIMKSANLH-UHFFFAOYSA-N
MW200.18 g/mol
LogP1.90
Rot. Bonds3

About 2-nitro-4-(2-nitroethenyl)thiophene

2-nitro-4-(2-nitroethenyl)thiophene (PubChem CID 2806238) has the molecular formula C6H4N2O4S and a molecular weight of 200.18 g/mol. Its IUPAC name is 2-nitro-4-(2-nitroethenyl)thiophene.

Molecular Properties

Compound Name2-nitro-4-(2-nitroethenyl)thiophene
PubChem CID2806238
Molecular FormulaC6H4N2O4S
Molecular Weight200.18 g/mol
Exact Mass199.99
IUPAC Name2-nitro-4-(2-nitroethenyl)thiophene
SMILESO=[N+]([O-])C=Cc1csc([N+](=O)[O-])c1
InChIInChI=1S/C6H4N2O4S/c9-7(10)2-1-5-3-6(8(11)12)13-4-5/h1-4H
InChIKeyZQAHUYIMKSANLH-UHFFFAOYSA-N
XLogP1.90
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.90
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'}

Analyze 2-nitro-4-(2-nitroethenyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-(2-nitroethenyl)thiophene?
The IUPAC name of 2-nitro-4-(2-nitroethenyl)thiophene (CID 2806238) is 2-nitro-4-(2-nitroethenyl)thiophene.
What is the SMILES notation for 2-nitro-4-(2-nitroethenyl)thiophene?
The canonical SMILES for 2-nitro-4-(2-nitroethenyl)thiophene is O=[N+]([O-])C=Cc1csc([N+](=O)[O-])c1.
What is the InChIKey of 2-nitro-4-(2-nitroethenyl)thiophene?
The InChIKey is ZQAHUYIMKSANLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O4S/c9-7(10)2-1-5-3-6(8(11)12)13-4-5/h1-4H.
What are the key properties of 2-nitro-4-(2-nitroethenyl)thiophene?
2-nitro-4-(2-nitroethenyl)thiophene has a molecular weight of 200.18 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-(2-nitroethenyl)thiophene is sourced from PubChem (CID 2806238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).