2-methyl-5-(3-nitrophenyl)thiophene

C11H9NO2S — CID 125453517

IUPAC2-methyl-5-(3-nitrophenyl)thiophene
SMILESCc1ccc(-c2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C11H9NO2S/c1-8-5-6-11(15-8)9-3-2-4-10(7-9)12(13)14/h2-7H,1H3
InChIKeyYCZRLEHJFAQMJK-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.63
Rot. Bonds2

About 2-methyl-5-(3-nitrophenyl)thiophene

2-methyl-5-(3-nitrophenyl)thiophene (PubChem CID 125453517) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-methyl-5-(3-nitrophenyl)thiophene.

Molecular Properties

Compound Name2-methyl-5-(3-nitrophenyl)thiophene
PubChem CID125453517
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name2-methyl-5-(3-nitrophenyl)thiophene
SMILESCc1ccc(-c2cccc([N+](=O)[O-])c2)s1
InChIInChI=1S/C11H9NO2S/c1-8-5-6-11(15-8)9-3-2-4-10(7-9)12(13)14/h2-7H,1H3
InChIKeyYCZRLEHJFAQMJK-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 ≤ 500219.26
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 2-methyl-5-(3-nitrophenyl)thiophene?
The IUPAC name of 2-methyl-5-(3-nitrophenyl)thiophene (CID 125453517) is 2-methyl-5-(3-nitrophenyl)thiophene.
What is the SMILES notation for 2-methyl-5-(3-nitrophenyl)thiophene?
The canonical SMILES for 2-methyl-5-(3-nitrophenyl)thiophene is Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1.
What is the InChIKey of 2-methyl-5-(3-nitrophenyl)thiophene?
The InChIKey is YCZRLEHJFAQMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-8-5-6-11(15-8)9-3-2-4-10(7-9)12(13)14/h2-7H,1H3.
What are the key properties of 2-methyl-5-(3-nitrophenyl)thiophene?
2-methyl-5-(3-nitrophenyl)thiophene has a molecular weight of 219.26 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 2-methyl-5-(3-nitrophenyl)thiophene is sourced from PubChem (CID 125453517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).