AG0091Z9

1185885-86-2 | 2,5-Bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

AG0091Z9

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CAS Number	1185885-86-2
Catalog Number	AG0091Z9(AGN-PC-0WAN1B)
Chemical Name	2,5-Bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
IUPAC Name	2,5-bis(2-ethylhexyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
InChI	InChI=1S/C30H40N2O2S2/c1-5-9-13-21(7-3)19-31-27(23-15-11-17-35-23)25-26(29(31)33)28(24-16-12-18-36-24)32(30(25)34)20-22(8-4)14-10-6-2/h11-12,15-18,21-22H,5-10,13-14,19-20H2,1-4H3
InChI Key	BTJNHAWTSFHBBN-UHFFFAOYSA-N
MDL Number	MFCD22200076
Molecular Formula	C30H40N2O2S2
Molecular Weight	524.7808
SMILES	O=C1N(CC(CC)CCCC)C(C2=CC=CS2)=C3C1=C(C4=CC=CS4)N(CC(CC)CCCC)C3=O
Synonyms	1185885-86-2, 2,5-Bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione, BTJNHAWTSFHBBN-UHFFFAOYSA-N, AK133159, 2,5-Bis(2-ethylhexyl)-3,6-di(2-thienyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, 2,5-Bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, SCHEMBL1277028, DTXSID90729354, MFCD22200076, AKOS016845175, DS-7198, LS40815, SC-28860, AX8254710, 2,5-bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo, 2,5-bis(2-ethylhexyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione, 2,5-Bis(2-ethylhexyl)-3,6-bis(2-thienyl)pyrrolo[3,4-c]pyrrole-1,4-dione, (2,5-bis(2-ethylhexyl)-3,6-di(thiophen-2-yl) pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione ), 2,5-bis(2-ethylhexyl)-3,6-di(thien-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione, 2,5-Bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c ]pyrrole-1,4(2H ,5H )-dione, 2,5-bis(2-ethylhexyl)-3,6-di(thiophene-2-yl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione, B5432,

Complexity	797
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	524.253g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	524.782g/mol
Monoisotopic Mass	524.253g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	97.1A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	7.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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