3-methyl-2-(4-nitrophenyl)thiophene

C11H9NO2S — CID 15211844

IUPAC3-methyl-2-(4-nitrophenyl)thiophene
SMILESCc1ccsc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9NO2S/c1-8-6-7-15-11(8)9-2-4-10(5-3-9)12(13)14/h2-7H,1H3
InChIKeyPUHPCINCSHXOPD-UHFFFAOYSA-N
MW219.27 g/mol
LogP3.63
Rot. Bonds2

About 3-methyl-2-(4-nitrophenyl)thiophene

3-methyl-2-(4-nitrophenyl)thiophene (PubChem CID 15211844) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-methyl-2-(4-nitrophenyl)thiophene.

Molecular Properties

Compound Name3-methyl-2-(4-nitrophenyl)thiophene
PubChem CID15211844
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name3-methyl-2-(4-nitrophenyl)thiophene
SMILESCc1ccsc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9NO2S/c1-8-6-7-15-11(8)9-2-4-10(5-3-9)12(13)14/h2-7H,1H3
InChIKeyPUHPCINCSHXOPD-UHFFFAOYSA-N
XLogP3.63
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 53.63
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 3-methyl-2-(4-nitrophenyl)thiophene?
The IUPAC name of 3-methyl-2-(4-nitrophenyl)thiophene (CID 15211844) is 3-methyl-2-(4-nitrophenyl)thiophene.
What is the SMILES notation for 3-methyl-2-(4-nitrophenyl)thiophene?
The canonical SMILES for 3-methyl-2-(4-nitrophenyl)thiophene is Cc1ccsc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-methyl-2-(4-nitrophenyl)thiophene?
The InChIKey is PUHPCINCSHXOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-8-6-7-15-11(8)9-2-4-10(5-3-9)12(13)14/h2-7H,1H3.
What are the key properties of 3-methyl-2-(4-nitrophenyl)thiophene?
3-methyl-2-(4-nitrophenyl)thiophene has a molecular weight of 219.27 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-nitrophenyl)thiophene is sourced from PubChem (CID 15211844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).