2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene

C12H8N2O4S — CID 45049400

IUPAC2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene
SMILESO=[N+]([O-])c1ccc(/C=C\c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8N2O4S/c15-13(16)10-5-3-9(12(8-10)14(17)18)4-6-11-2-1-7-19-11/h1-8H/b6-4-
InChIKeyYBAXMZWUGOEWPM-XQRVVYSFSA-N
MW276.27 g/mol
LogP3.73
Rot. Bonds4

About 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene

2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene (PubChem CID 45049400) has the molecular formula C12H8N2O4S and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene.

Molecular Properties

Compound Name2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene
PubChem CID45049400
Molecular FormulaC12H8N2O4S
Molecular Weight276.27 g/mol
Exact Mass276.02
IUPAC Name2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene
SMILESO=[N+]([O-])c1ccc(/C=C\c2cccs2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8N2O4S/c15-13(16)10-5-3-9(12(8-10)14(17)18)4-6-11-2-1-7-19-11/h1-8H/b6-4-
InChIKeyYBAXMZWUGOEWPM-XQRVVYSFSA-N
XLogP3.73
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 53.73
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 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene?
The IUPAC name of 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene (CID 45049400) is 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene.
What is the SMILES notation for 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene?
The canonical SMILES for 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene is O=[N+]([O-])c1ccc(/C=C\c2cccs2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene?
The InChIKey is YBAXMZWUGOEWPM-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H8N2O4S/c15-13(16)10-5-3-9(12(8-10)14(17)18)4-6-11-2-1-7-19-11/h1-8H/b6-4-.
What are the key properties of 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene?
2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene has a molecular weight of 276.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(2,4-dinitrophenyl)ethenyl]thiophene is sourced from PubChem (CID 45049400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).