1,1′-[4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]

C₃₂H₅₄O₂S₂Sn₂CAS 1160823-78-8772.32 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₃₂H₅₄O₂S₂Sn₂
Molar mass: 772.32 g/mol
Exact mass: 774.1609 Da
logP: 9.64Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 14

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled92.7% of notifiers
H301 Toxic if swallowed92.7% of notifiers
H311 Toxic in contact with skin92.7% of notifiers
H331 Toxic if inhaled92.7% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

1160823-78-8

SMILES

CCCCC(CC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)[Sn](C)(C)C)OCC(CC)CCCC)[Sn](C)(C)C

InChIKey

XXMOZDBOAIICDA-UHFFFAOYSA-N

InChI

InChI=1S/C26H36O2S2.6CH3.2Sn/c1-5-9-11-19(7-3)17-27-23-21-13-15-30-26(21)24(22-14-16-29-25(22)23)28-18-20(8-4)12-10-6-2;;;;;;;;/h13-14,19-20H,5-12,17-18H2,1-4H3;6*1H3;;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Stannane, 1,1′-[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[1,1,1-trimethyl-
2,6-Bis(trimethyltin)-4,8-bis(2-ethylhexyloxy)benzo[1,2-b:4,5-b′]dithiophene
4,8-Bis[(2-ethylhexyloxy)]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl bis(trimethylstannane)
2,6-Di(trimethyltin)-4,8-di((2-ethylhexyl)oxy) benzo[1,2-b;4,5-b0]dithiophene
2,6-Bis(trimethyltin)-4,8-di(2-ethylhexyloxyl) benzo[1,2-b:4,5-b′]dithiophene
2,6-Bis(trimethylstannyl)-4,8-bis(2-ethylhexyl)oxybenzo[1,2-b:4,5-b′]dithiophene
2,6-Bis(trimethyltin)-4,8-diethylhexyloxybenzo[1,2-b;3,4-b]dithiophene
1,1′-[4,8-Bis(ethylhexyloxy)benzo[1,2-b:4,5b′]dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]
4,8-Bis(2-ethylhexyloxy)-2,6-bis(trimethylstannyl)thieno[2,3-f]benzothiophene
[4,8-Bis(2-ethylhexoxy)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane

Work with 1,1′-[4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane]

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

2,6-Dibromo-4,8-bis[(2-ethylhexyl)oxy]-benzo[1,2-B:4,5-B']dithiophene1226782-13-366 % similar 2,6-Bis(trimethyltin)-4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo [1,2-B:4,5-B']dithiophene1352642-37-556 % similar 4,8-Bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b′]dithiophene1160823-77-756 % 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)2239295-69-156 % similar In1771,(4,8-bis(5-(2-ethylhexyl)-4-fluorothiophen-2-yl)benzo[1,2-B:4,5-B']dithiophene-2,6-diyl)bis(trimethylstannane)1514905-25-953 % similar Di(2-ethylhexyl)ether10143-60-940 % similar 2-Ethylhexylamine104-75-639 % similar Bis(2-ethylhexyl) terephthalate6422-86-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook