chempirical

2,5-Dichloro-3,4-dinitrothiophene

C4Cl2N2O4SCAS 51584-21-5243.01 g/mol

Open in Covalent MOL file
SN+OO−ClClN+OO−
Aryl halideNitro

Properties

Molecular formula
C4Cl2N2O4S
Molar mass
243.01 g/mol
Exact mass
241.8956 Da
logP
2.87Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51584-21-5
SMILES
C1(=C(SC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]
InChIKey
UNRSLHGBQKYYSF-UHFFFAOYSA-N
InChI
InChI=1S/C4Cl2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3

Weigh it out

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Work with 2,5-Dichloro-3,4-dinitrothiophene

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

Pentachloronitrobenzene82-68-852 % similar 2,5-Dibromo-3,4-dinitrothiophene52431-30-848 % similar 1,3-Dichloro-2-nitrobenzene601-88-746 % similar 2-Chloro-3-nitrothiophene5330-98-345 % similar 1,2,4,5-Tetrachloro-3-nitrobenzene117-18-043 % similar 2,4,6-Trichloronitrobenzene18708-70-843 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-243 % similar 2,4,6-Trichloro-5-nitropyrimidine4359-87-943 % similar

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

Elsewhere

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