AG009D1A

1352642-37-5 | 2,6-Bis(trimethylstannyl)-4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene

AG009D1A

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CAS Number	1352642-37-5
Catalog Number	AG009D1A(AGN-PC-0WQUJR)
Chemical Name	2,6-Bis(trimethylstannyl)-4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene
IUPAC Name	[4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
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;;
InChI Key	OCFFMJYHZKHRKM-UHFFFAOYSA-N
MDL Number	MFCD28386086
Molecular Formula	C40H58S4Sn2
Molecular Weight	904.5505
SMILES	C[Sn](C)(C5=CC3=C(S5)C(C1=CC=C(S1)CC(CC)CCCC)=C2C=C(SC2=C3C4=CC=C(S4)CC(CC)CCCC)[Sn](C)(C)C)C
Synonyms	1352642-37-5, 4,8-Bis[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b']dithiophene, (4,8-Bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(trimethylstannane), OCFFMJYHZKHRKM-UHFFFAOYSA-N, [4,8-bis[5-(2-ethylhexyl)thiophen-2-yl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis(trimethylstannane), SCHEMBL15754413, AKOS028110109, 1,1'-[4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[1,1,1-trimethylstannane], B4437, 1,1'-[4,8-Bis[5-(2-ethylhexyl)-2-thienyl]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]bis[1,1,1-trimethyl, 2,6-Bis(trimethyltin)-4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo[1,2-b :4,5-b' ]dithiophene, 4,8-Bis[5-(2-ethylhexyl)thiophen-2-yl]-2,6-bis(trimethylstannyl)benzo[1,2-b:4,5-b]dithiophene, ACN-054075, 2,6-Bis(trimethyltin)-4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)benzo [1,2-b:4,5-b']dithiophene, 99% - 1G 1g,

Complexity	857
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	904.146g/mol
Formal Charge	0
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	904.564g/mol
Monoisotopic Mass	906.147g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	\N

Certificate of Analysis

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