chempirical

2-(2-Nitroethenyl)thiophene

C6H5NO2SCAS 874-84-0155.17 g/mol

Open in Covalent MOL file
ON+O−S
AlkeneNitro

Properties

Molecular formula
C6H5NO2S
Molar mass
155.17 g/mol
Exact mass
155.0041 Da
Melting point
79–80 °C
logP
2.00Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
874-84-0
SMILES
O=[N+]([O-])C=Cc1cccs1
InChIKey
UTPOWFFIBWOQRK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO2S/c8-7(9)4-3-6-2-1-5-10-6/h1-5H

Weigh it out

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Names and synonyms

9 names
  • Thiophene, 2-(2-nitroethenyl)-
  • Thiophene, 2-(2-nitrovinyl)-
  • 2-Thienylnitroethylene
  • 2-(2-Nitrovinyl)thiophene
  • 1-Nitro-2-(2-thienyl)ethylene
  • 1-Nitro-2-(thien-2-yl)ethene
  • NSC 22059
  • 2-Furyl-1-nitroethene
  • ST 003142

Work with 2-(2-Nitroethenyl)thiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

β-Nitrostyrene102-96-552 % similar 1,3-Dichloro-2-(2-nitroethenyl)benzene22482-43-547 % similar 2-(2-Nitroethenyl)furan699-18-346 % similar Thiophene-2-carboxaldehyde98-03-344 % similar 1-Chloro-4-(2-nitroethenyl)benzene706-07-043 % similar 1-Fluoro-4-(2-nitroethenyl)benzene706-08-143 % similar 3-(2-Thienyl)-2-propenoic acid1124-65-842 % similar (2E)-3-(2-Thienyl)-2-propenoic acid15690-25-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitrobenzenethiol1849-36-1 2-Mercaptonicotinic acid38521-46-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook