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

C11H9NO2S — CID 86273277

IUPAC2-methyl-4-(4-nitrophenyl)thiophene
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C11H9NO2S/c1-8-6-10(7-15-8)9-2-4-11(5-3-9)12(13)14/h2-7H,1H3
InChIKeySJOOJAQKSDURHQ-UHFFFAOYSA-N
MW219.27 g/mol
LogP3.63
Rot. Bonds2

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

2-methyl-4-(4-nitrophenyl)thiophene (PubChem CID 86273277) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-methyl-4-(4-nitrophenyl)thiophene.

Molecular Properties

Compound Name2-methyl-4-(4-nitrophenyl)thiophene
PubChem CID86273277
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-methyl-4-(4-nitrophenyl)thiophene
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C11H9NO2S/c1-8-6-10(7-15-8)9-2-4-11(5-3-9)12(13)14/h2-7H,1H3
InChIKeySJOOJAQKSDURHQ-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

4-(4-nitrophenyl)thiophene-2-carboxylic acid
CID 23063734
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
1-methyl-4-nitrobenzene tritetrafluoroborate
CID 175186870
ethyl 1-methyl-4-(4-nitrophenyl)pyrrole-2-carboxylate
CID 14643807
1-tert-butyl-3-(4-nitrophenyl)benzene
CID 165476956
4-methyl-2-(4-nitrophenyl)-1H-pyrrole
CID 102097290
3,4-dimethyl-5-(4-nitrophenyl)thieno[2,3-b]thiophene
CID 135037493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-nitrophenyl)thiophene?
The IUPAC name of 2-methyl-4-(4-nitrophenyl)thiophene (CID 86273277) is 2-methyl-4-(4-nitrophenyl)thiophene.
What is the SMILES notation for 2-methyl-4-(4-nitrophenyl)thiophene?
The canonical SMILES for 2-methyl-4-(4-nitrophenyl)thiophene is Cc1cc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 2-methyl-4-(4-nitrophenyl)thiophene?
The InChIKey is SJOOJAQKSDURHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-8-6-10(7-15-8)9-2-4-11(5-3-9)12(13)14/h2-7H,1H3.
What are the key properties of 2-methyl-4-(4-nitrophenyl)thiophene?
2-methyl-4-(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 2-methyl-4-(4-nitrophenyl)thiophene is sourced from PubChem (CID 86273277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).