3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene

C10H7NO2S2 — CID 901479

IUPAC3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene
SMILESO=[N+]([O-])c1ccsc1/C=C/c1cccs1
InChIInChI=1S/C10H7NO2S2/c12-11(13)9-5-7-15-10(9)4-3-8-2-1-6-14-8/h1-7H/b4-3+
InChIKeyLDIBMMXHZOWECK-ONEGZZNKSA-N
MW237.31 g/mol
LogP3.89
Rot. Bonds3

About 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene

3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene (PubChem CID 901479) has the molecular formula C10H7NO2S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene.

Molecular Properties

Compound Name3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene
PubChem CID901479
Molecular FormulaC10H7NO2S2
Molecular Weight237.31 g/mol
Exact Mass236.99
IUPAC Name3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene
SMILESO=[N+]([O-])c1ccsc1/C=C/c1cccs1
InChIInChI=1S/C10H7NO2S2/c12-11(13)9-5-7-15-10(9)4-3-8-2-1-6-14-8/h1-7H/b4-3+
InChIKeyLDIBMMXHZOWECK-ONEGZZNKSA-N
XLogP3.89
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene?
The IUPAC name of 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene (CID 901479) is 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene.
What is the SMILES notation for 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene?
The canonical SMILES for 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene is O=[N+]([O-])c1ccsc1/C=C/c1cccs1.
What is the InChIKey of 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene?
The InChIKey is LDIBMMXHZOWECK-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H7NO2S2/c12-11(13)9-5-7-15-10(9)4-3-8-2-1-6-14-8/h1-7H/b4-3+.
What are the key properties of 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene?
3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene has a molecular weight of 237.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-[(E)-2-thiophen-2-ylethenyl]thiophene is sourced from PubChem (CID 901479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).