chempirical

4,8-Bis(5-bromo-4-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-C:4,5-C']bis[1,2,5]thiadiazole

C30H36Br2N4S4CAS 1401018-41-4740.69 g/mol

Open in Covalent MOL file
SNSNSBrNSNBr
Aryl halide

Properties

Molecular formula
C30H36Br2N4S4
Molar mass
740.69 g/mol
Exact mass
738.0190 Da
logP
12.92Crippen estimate
Polar surface area
50.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
14

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
1401018-41-4
SMILES
CCCCC(CC)CC1=C(SC(=C1)C2=C3C(=C(C4=NSN=C24)C5=CC(=C(S5)Br)CC(CC)CCCC)N=S=N3)Br
InChIKey
XMGJYTFXEYNZAA-UHFFFAOYSA-N
InChI
InChI=1S/C30H36Br2N4S4/c1-5-9-11-17(7-3)13-19-15-21(37-29(19)31)23-25-27(35-39-33-25)24(28-26(23)34-40-36-28)22-16-20(30(32)38-22)14-18(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3

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Work with 4,8-Bis(5-bromo-4-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-C:4,5-C']bis[1,2,5]thiadiazole

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Similar compounds

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

Elsewhere

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