chempirical

2,6-Bis(trimethyltin)-4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo [1,2-B:4,5-B']dithiophene

C40H58S4Sn2CAS 1352642-37-5904.56 g/mol

Open in Covalent MOL file
SSSSnSSn

Properties

Molecular formula
C40H58S4Sn2
Molar mass
904.56 g/mol
Exact mass
906.1465 Da
logP
14.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
16

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
1352642-37-5
SMILES
CCCCC(CC)CC1=CC=C(S1)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC=C(S5)CC(CC)CCCC)[Sn](C)(C)C
InChIKey
OCFFMJYHZKHRKM-UHFFFAOYSA-N
InChI
InChI=1S/C34H40S4.6CH3.2Sn/c1-5-9-11-23(7-3)21-25-13-15-29(37-25)31-27-17-19-36-34(27)32(28-18-20-35-33(28)31)30-16-14-26(38-30)22-24(8-4)12-10-6-2;;;;;;;;/h13-18,23-24H,5-12,21-22H2,1-4H3;6*1H3;;

Weigh it out

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Work with 2,6-Bis(trimethyltin)-4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo [1,2-B:4,5-B']dithiophene

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

In1771,(4,8-bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo[1,2-B:4,5-B']dithiophene-2,6-diyl)bis(trimethylstannane)1514905-25-967 % similar In1776, (4,8-bis(4-chloro-5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-B:4,5-B']dithiophene-2,6-diyl)bis(trimethylstannane)2239295-69-167 % similar 2-(2-Ethylhexyl)thiophene4891-44-543 % similar 3-(2-Ethylhexyl)thiophene121134-38-138 % similar 2,6-Dibromo-4,8-bis[(2-ethylhexyl)oxy]-benzo[1,2-B:4,5-B']dithiophene1226782-13-335 % similar 4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene1160823-77-735 % similar 4-(2-Ethylhexyl)-4H-dithieno[3,2-B:2',3'-D]pyrrole868173-44-833 % similar 4,8-Bis(5-bromo-4-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-C:4,5-C']bis[1,2,5]thiadiazole1401018-41-433 % similar

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

Elsewhere

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