Bis(2-ethylhexyl) Dithienyl DPP Derivative, ≥98%

Cat No:BMSPEM-0014

Description

A small-molecule dithienyl diketopyrrolopyrrole derivative bearing two 2-ethylhexyl substituents, supplied at ≥98% purity. Available characterization data cover its molecular formula, molecular weight, structural identifiers, and molecular descriptors.

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Basic Information

Chemical Formula	C₃₀H₄₀N₂O₂S₂
Molecular Weight	524.78 g/mol
Storage Conditions	Store at room temperature.
Purity	≥98%
EC Number	802-542-0
English Synonyms	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) DPP
Specification	≥98%
Molecular Type	Small molecule
PubChem SID	504771695
IUPAC Name	2,5-bis(2-ethylhexyl)-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-3,6-dione
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
SMILES	CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=CS3)C1=O)C4=CC=CS4
Isomeric SMILES	CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=CS3)C1=O)C4=CC=CS4
Reaxys RN	15611690
Shipping Conditions	Standard transport
Available Package Sizes	100mg, 250mg, 1g
XLogP3	7.900
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	14
Exact Mass	524.253 Da
Monoisotopic Mass	524.253 Da
Topological Polar Surface Area	97.100 Å²
Heavy Atom Count	36
Complexity	797.000
Undefined Atom Stereocenter Count	2
Covalently Bonded Unit Count	1

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