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

C11H9NO2S — CID 57000344

IUPAC2-(2-methyl-5-nitrophenyl)thiophene
SMILESCc1ccc([N+](=O)[O-])cc1-c1cccs1
InChIInChI=1S/C11H9NO2S/c1-8-4-5-9(12(13)14)7-10(8)11-3-2-6-15-11/h2-7H,1H3
InChIKeyLUIAESSEYFSPKZ-UHFFFAOYSA-N
MW219.27 g/mol
LogP3.63
Rot. Bonds2

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

2-(2-methyl-5-nitrophenyl)thiophene (PubChem CID 57000344) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(2-methyl-5-nitrophenyl)thiophene.

Molecular Properties

Compound Name2-(2-methyl-5-nitrophenyl)thiophene
PubChem CID57000344
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-(2-methyl-5-nitrophenyl)thiophene
SMILESCc1ccc([N+](=O)[O-])cc1-c1cccs1
InChIInChI=1S/C11H9NO2S/c1-8-4-5-9(12(13)14)7-10(8)11-3-2-6-15-11/h2-7H,1H3
InChIKeyLUIAESSEYFSPKZ-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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Related Compounds

2-(4-nitrophenyl)thiophene
CID 609512
3-(4-nitro-2-thiophen-2-ylphenoxy)propanenitrile
CID 9476157
3-(2-methoxy-5-nitrophenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 66488042
1-(4-nitro-2-thiophen-2-ylphenoxy)-3-propan-2-yloxypropan-2-ol
CID 109415614
(4-nitro-2-thiophen-2-ylphenyl) 4-(diethylsulfamoyl)benzenesulfonate
CID 24511302
5-(2-methyl-5-nitrophenyl)furan-2-carbonitrile
CID 2992476
(4-nitro-2-thiophen-2-ylphenyl) 2-fluoro-4,5-dimethoxybenzenesulfonate
CID 35316948
N-(2-methyl-5-nitrophenyl)thiophene-2-sulfonamide
CID 971680
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1,3-dimethoxy-2-(2-methyl-5-nitrophenyl)benzene
CID 173253076
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
2-methyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-nitroaniline
CID 78833748

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-nitrophenyl)thiophene?
The IUPAC name of 2-(2-methyl-5-nitrophenyl)thiophene (CID 57000344) is 2-(2-methyl-5-nitrophenyl)thiophene.
What is the SMILES notation for 2-(2-methyl-5-nitrophenyl)thiophene?
The canonical SMILES for 2-(2-methyl-5-nitrophenyl)thiophene is Cc1ccc([N+](=O)[O-])cc1-c1cccs1.
What is the InChIKey of 2-(2-methyl-5-nitrophenyl)thiophene?
The InChIKey is LUIAESSEYFSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-8-4-5-9(12(13)14)7-10(8)11-3-2-6-15-11/h2-7H,1H3.
What are the key properties of 2-(2-methyl-5-nitrophenyl)thiophene?
2-(2-methyl-5-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 2-(2-methyl-5-nitrophenyl)thiophene is sourced from PubChem (CID 57000344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).