4-Octyl-4H-dithieno[3,2-B:2',3'-D]pyrrole

C₁₆H₂₁NS₂CAS 141029-75-6291.47 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₁NS₂
Molar mass: 291.47 g/mol
Exact mass: 291.1115 Da
logP: 6.28Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

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

141029-75-6

SMILES

CCCCCCCCN1C2=C(C3=C1C=CS3)SC=C2

InChIKey

GGCJLBJHTUIOES-UHFFFAOYSA-N

InChI

InChI=1S/C16H21NS2/c1-2-3-4-5-6-7-10-17-13-8-11-18-15(13)16-14(17)9-12-19-16/h8-9,11-12H,2-7,10H2,1H3

Weigh it out

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Work with 4-Octyl-4H-dithieno[3,2-B:2',3'-D]pyrrole

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

2,7-Dibromo-9-hexylcarbazole654676-12-748 % similar 2-Methyl-1-octyl-1H-indole42951-39-343 % similar 2-n-Octyl-4-isothiazolin-3-one26530-20-143 % similar 4,4-Dioctyl-4H-silolo[3,2-B:4,5-B']dithiophene1160106-12-640 % similar 2-Bromo-3-decylthiophene144012-09-940 % similar 2-Bromo-3-n-octylthiophene145543-83-540 % similar 2-Bromo-3-hexylthiophene69249-61-240 % similar 9-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole406726-92-940 % similar

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

Same formula

4-(2-Ethylhexyl)-4H-dithieno[3,2-B:2',3'-D]pyrrole868173-44-8

Elsewhere

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