3-nitro-4-(4-nitrothiophen-3-yl)thiophene

C8H4N2O4S2 — CID 13447423

IUPAC3-nitro-4-(4-nitrothiophen-3-yl)thiophene
SMILESO=[N+]([O-])c1cscc1-c1cscc1[N+](=O)[O-]
InChIInChI=1S/C8H4N2O4S2/c11-9(12)7-3-15-1-5(7)6-2-16-4-8(6)10(13)14/h1-4H
InChIKeyLJNOZOVMTAKQCK-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.29
Rot. Bonds3

About 3-nitro-4-(4-nitrothiophen-3-yl)thiophene

3-nitro-4-(4-nitrothiophen-3-yl)thiophene (PubChem CID 13447423) has the molecular formula C8H4N2O4S2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-nitro-4-(4-nitrothiophen-3-yl)thiophene.

Molecular Properties

Compound Name3-nitro-4-(4-nitrothiophen-3-yl)thiophene
PubChem CID13447423
Molecular FormulaC8H4N2O4S2
Molecular Weight256.26 g/mol
Exact Mass255.96
IUPAC Name3-nitro-4-(4-nitrothiophen-3-yl)thiophene
SMILESO=[N+]([O-])c1cscc1-c1cscc1[N+](=O)[O-]
InChIInChI=1S/C8H4N2O4S2/c11-9(12)7-3-15-1-5(7)6-2-16-4-8(6)10(13)14/h1-4H
InChIKeyLJNOZOVMTAKQCK-UHFFFAOYSA-N
XLogP3.29
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-nitro-4-(4-nitrothiophen-3-yl)thiophene with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-nitrothiophen-3-yl)benzene-1,3-diamine
CID 22644261
4-(4-bromothiophen-3-yl)-6-methyl-5-nitropyrimidin-2-amine
CID 114044604
2-(2,6-dinitrophenyl)sulfanyl-1,3-dinitrobenzene
CID 154253761
azanide;1,2-dinitrobenzene;platinum
CID 158959684
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
zinc;bis(2,4,6-trinitrophenolate);nonahydrate
CID 139060204
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
3-hydroxy-4-nitrothiophene-2-carboxylic acid
CID 131031050
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
3-bromo-4-nitrothiophene-2-carboxylic acid
CID 82382426
5-[oxido(oxo)(15N)(15N)azaniumyl]thiophene-3-carboxamide
CID 10535215
3-nitrothiophen-2-amine
CID 3830768

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(4-nitrothiophen-3-yl)thiophene?
The IUPAC name of 3-nitro-4-(4-nitrothiophen-3-yl)thiophene (CID 13447423) is 3-nitro-4-(4-nitrothiophen-3-yl)thiophene.
What is the SMILES notation for 3-nitro-4-(4-nitrothiophen-3-yl)thiophene?
The canonical SMILES for 3-nitro-4-(4-nitrothiophen-3-yl)thiophene is O=[N+]([O-])c1cscc1-c1cscc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-4-(4-nitrothiophen-3-yl)thiophene?
The InChIKey is LJNOZOVMTAKQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O4S2/c11-9(12)7-3-15-1-5(7)6-2-16-4-8(6)10(13)14/h1-4H.
What are the key properties of 3-nitro-4-(4-nitrothiophen-3-yl)thiophene?
3-nitro-4-(4-nitrothiophen-3-yl)thiophene has a molecular weight of 256.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(4-nitrothiophen-3-yl)thiophene is sourced from PubChem (CID 13447423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).