2,5-dimethyl-3-(2-nitroethenyl)thiophene

C8H9NO2S — CID 76913006

IUPAC2,5-dimethyl-3-(2-nitroethenyl)thiophene
SMILESCc1cc(C=C[N+](=O)[O-])c(C)s1
InChIInChI=1S/C8H9NO2S/c1-6-5-8(7(2)12-6)3-4-9(10)11/h3-5H,1-2H3
InChIKeyYPGHMUQHKDWDKU-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.61
Rot. Bonds2

About 2,5-dimethyl-3-(2-nitroethenyl)thiophene

2,5-dimethyl-3-(2-nitroethenyl)thiophene (PubChem CID 76913006) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2,5-dimethyl-3-(2-nitroethenyl)thiophene.

Molecular Properties

Compound Name2,5-dimethyl-3-(2-nitroethenyl)thiophene
PubChem CID76913006
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2,5-dimethyl-3-(2-nitroethenyl)thiophene
SMILESCc1cc(C=C[N+](=O)[O-])c(C)s1
InChIInChI=1S/C8H9NO2S/c1-6-5-8(7(2)12-6)3-4-9(10)11/h3-5H,1-2H3
InChIKeyYPGHMUQHKDWDKU-UHFFFAOYSA-N
XLogP2.61
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.61
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

1,4-difluoro-2-methyl-5-[(E)-2-nitroethenyl]benzene
CID 126653279
1,2-dimethyl-4-nitro-5-[(E)-2-nitroethenyl]benzene
CID 54409643
3-(2,5-dimethylthiophen-3-yl)prop-2-ene-1-thiol
CID 169456539
2,5-dimethyl-3-(4-methyl-2-nitropent-1-enyl)thiophene
CID 76949322
1,2-bis(2-nitroethenyl)benzene
CID 154283712
5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene
CID 131880139
2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
CID 15128232
4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzaldehyde
CID 134890164
4-bromo-3-methyl-5-(2-nitroethenyl)pyridine
CID 131865933
2,7-dimethyl-3-[(E)-2-nitroethenyl]-1-benzothiophene
CID 135380422
1,2,5-trifluoro-3-(2-nitroethenyl)benzene
CID 123746905
1,2,5-trifluoro-3-[(E)-2-nitroethenyl]benzene
CID 89106742

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(2-nitroethenyl)thiophene?
The IUPAC name of 2,5-dimethyl-3-(2-nitroethenyl)thiophene (CID 76913006) is 2,5-dimethyl-3-(2-nitroethenyl)thiophene.
What is the SMILES notation for 2,5-dimethyl-3-(2-nitroethenyl)thiophene?
The canonical SMILES for 2,5-dimethyl-3-(2-nitroethenyl)thiophene is Cc1cc(C=C[N+](=O)[O-])c(C)s1.
What is the InChIKey of 2,5-dimethyl-3-(2-nitroethenyl)thiophene?
The InChIKey is YPGHMUQHKDWDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-6-5-8(7(2)12-6)3-4-9(10)11/h3-5H,1-2H3.
What are the key properties of 2,5-dimethyl-3-(2-nitroethenyl)thiophene?
2,5-dimethyl-3-(2-nitroethenyl)thiophene has a molecular weight of 183.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(2-nitroethenyl)thiophene is sourced from PubChem (CID 76913006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).