2-nitro-5-phenylthiophene

C10H7NO2S — CID 1211758

IUPAC2-nitro-5-phenylthiophene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)s1
InChIInChI=1S/C10H7NO2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyRAIKTZFNBPNFOE-UHFFFAOYSA-N
MW205.24 g/mol
LogP3.32
Rot. Bonds2

About 2-nitro-5-phenylthiophene

2-nitro-5-phenylthiophene (PubChem CID 1211758) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-nitro-5-phenylthiophene.

Molecular Properties

Compound Name2-nitro-5-phenylthiophene
PubChem CID1211758
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name2-nitro-5-phenylthiophene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)s1
InChIInChI=1S/C10H7NO2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H
InChIKeyRAIKTZFNBPNFOE-UHFFFAOYSA-N
XLogP3.32
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-nitro-5-phenylthiophene?
The IUPAC name of 2-nitro-5-phenylthiophene (CID 1211758) is 2-nitro-5-phenylthiophene.
What is the SMILES notation for 2-nitro-5-phenylthiophene?
The canonical SMILES for 2-nitro-5-phenylthiophene is O=[N+]([O-])c1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-nitro-5-phenylthiophene?
The InChIKey is RAIKTZFNBPNFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-nitro-5-phenylthiophene?
2-nitro-5-phenylthiophene has a molecular weight of 205.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-phenylthiophene is sourced from PubChem (CID 1211758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).