2-nitro-3-thiophen-2-ylthiophene

C8H5NO2S2 — CID 13354809

IUPAC2-nitro-3-thiophen-2-ylthiophene
SMILESO=[N+]([O-])c1sccc1-c1cccs1
InChIInChI=1S/C8H5NO2S2/c10-9(11)8-6(3-5-13-8)7-2-1-4-12-7/h1-5H
InChIKeyIICKIWWQHBGSOS-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.38
Rot. Bonds2

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

2-nitro-3-thiophen-2-ylthiophene (PubChem CID 13354809) has the molecular formula C8H5NO2S2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-nitro-3-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-nitro-3-thiophen-2-ylthiophene
PubChem CID13354809
Molecular FormulaC8H5NO2S2
Molecular Weight211.27 g/mol
Exact Mass210.98
IUPAC Name2-nitro-3-thiophen-2-ylthiophene
SMILESO=[N+]([O-])c1sccc1-c1cccs1
InChIInChI=1S/C8H5NO2S2/c10-9(11)8-6(3-5-13-8)7-2-1-4-12-7/h1-5H
InChIKeyIICKIWWQHBGSOS-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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Related Compounds

2-[(E)-2-(4-nitrophenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 53330118
3-(Benzenesulfonylmethyl)-2-nitrothiophene
CID 2801663
2-(4-Nitrophenyl)thiophene
CID 609512
3,3'-Bithiophene, 2-nitro-
CID 901431
2-(5-Nitro-2-thienyl)-5-(2-thienyl)thiophene
CID 454750
2-(4-Fluorophenyl)-5-nitrothiophene
CID 54010932
2-[(4-Nitrophenyl)methylsulfanyl]thiophene
CID 2819614
2-(2-Nitrophenyl)thiophene
CID 9167261
5-Nitrothieno[2,3-b]thiophene
CID 129149133
2-Nitro-5-phenylthiophene
CID 1211758
2-(3-Nitrophenyl)thiophene
CID 3614084
2-Nitro-1-benzothiophene
CID 11830017

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-thiophen-2-ylthiophene?
The IUPAC name of 2-nitro-3-thiophen-2-ylthiophene (CID 13354809) is 2-nitro-3-thiophen-2-ylthiophene.
What is the SMILES notation for 2-nitro-3-thiophen-2-ylthiophene?
The canonical SMILES for 2-nitro-3-thiophen-2-ylthiophene is O=[N+]([O-])c1sccc1-c1cccs1.
What is the InChIKey of 2-nitro-3-thiophen-2-ylthiophene?
The InChIKey is IICKIWWQHBGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S2/c10-9(11)8-6(3-5-13-8)7-2-1-4-12-7/h1-5H.
What are the key properties of 2-nitro-3-thiophen-2-ylthiophene?
2-nitro-3-thiophen-2-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-2-ylthiophene is sourced from PubChem (CID 13354809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).