3- Undecyl-thieno[3, 2- b] thiophene - CAS 950223-97-9

Catalog:	BB056930
Product Name:	3- Undecyl-thieno[3, 2- b] thiophene
CAS:	950223-97-9
Synonyms:	3-undecylthieno[3,2-b]thiophene; 6-undecylthieno[3,2-b]thiophene; Thieno[3,2-b]thiophene,3-undecyl-; Thieno[3,2-b]thiophene, 3-undecyl-

Technical Data

IUPAC Name:	6-undecylthieno[3,2-b]thiophene
Description:	3- Undecyl-thieno[3, 2- b] thiophene is a fused benzothiadiazole, which is used as a building block for n-type organic acceptor to achieve high-performance organic solar cells.
Molecular Weight:	294.15
Molecular Formula:	C17H26S2
Canonical SMILES:	CCCCCCCCCCCC1=CSC2=C1SC=C2
InChI:	InChI=1S/C17H26S2/c1-2-3-4-5-6-7-8-9-10-11-15-14-19-16-12-13-18-17(15)16/h12-14H,2-11H2,1H3
InChI Key:	BVCVLQZKDYRAHL-UHFFFAOYSA-N
References:	Yuan, J., et al. Adv. Mater. 31, (2019).

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	294.14759318
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	294.14759318
Rotatable Bond Count:	10
Topological Polar Surface Area:	56.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.4