chempirical

3,6-Di(2-thienyl)-2,5-dihydropyrrolo[3,4-C]pyrrole-1,4-dione

C14H8N2O2S2CAS 850583-75-4300.35 g/mol

Open in Covalent MOL file
SHNOHNOS
IminePhenol

Properties

Molecular formula
C14H8N2O2S2
Molar mass
300.35 g/mol
Exact mass
300.0027 Da
logP
3.50Crippen estimate
Polar surface area
65.4 Ų
H-bond donors / acceptors
2 / 4
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
850583-75-4
SMILES
C1=CSC(=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=CS4
InChIKey
ZLIGHMSLZXFKKF-UHFFFAOYSA-N
InChI
InChI=1S/C14H8N2O2S2/c17-13-9-10(12(16-13)8-4-2-6-20-8)14(18)15-11(9)7-3-1-5-19-7/h1-6,15,18H

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Names and synonyms

1 names
  • 3,6-Di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

Work with 3,6-Di(2-thienyl)-2,5-dihydropyrrolo[3,4-C]pyrrole-1,4-dione

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

Cyclopropyl-2-thienylmethanone6193-47-135 % similar Thiophene-2-carboxylic acid527-72-035 % similar 2-Thiophenecarbonyl chloride5271-67-035 % similar 2-Thienyl ketone704-38-134 % similar 2,2'-Thenil7333-07-534 % similar 2,2'-Thenoin27761-02-033 % similar 2-Thiopheneglyoxylic acid4075-59-633 % similar Thiophene-2-carboxylic anhydride25569-97-532 % similar

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

Elsewhere

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