5,6-difluoro-4,7-bis[4-(2-octyldodecyl)thiophen-2-yl]-2,1,3-benzothiadiazole

5,6-difluoro-4,7-bis[4-(2-octyldodecyl)thiophen-2-yl]-2,1,3-benzothiadiazole

Formula: C54H86F2N2S3

SMILES: CCCCCCCCCCC(CCCCCCCC)CC1=CSC(=C1)C1=C(F)C(F)=C(C2=CC(CC(CCCCCCCC)CCCCCCCCCC)=CS2)C2=NSN=C12

IUPAC: 5,6-difluoro-4,7-bis[4-(2-octyldodecyl)thiophen-2-yl]-2,1,3-benzothiadiazole

InChI: InChI=1/C54H86F2N2S3/c1-5-9-13-17-21-23-27-31-35-43(33-29-25-19-15-11-7-3)37-45-39-47(59-41-45)49-51(55)52(56)50(54-53(49)57-61-58-54)48-40-46(42-60-48)38-44(34-30-26-20-16-12-8-4)36-32-28-24-22-18-14-10-6-2/h39-44H,5-38H2,1-4H3

Composition: C (72.27%), H (9.66%), F (4.23%), N (3.12%), S (10.72%)

Molar Mass: 897.47

Atom Count: 147

Heavy Atom Count: 61

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	896.592120625
Formal Charge	0
FSP3	0.74
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CKBQBGFMHDXWNB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	265.84
Topological Polar Surface Area	25.78
Polarizability	106.9
Ring Count	4
Rotatable Bond Count	38

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C54H86F2N2S3		Quote Only