3-hexyl-5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene

3-hexyl-5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene

CAS: 132814-91-6

Formula: C28H34S4

SMILES: CCCCCCC1=C(SC=C1)C1=CC=C(S1)C1=CC=C(S1)C1=C(CCCCCC)C=CS1

IUPAC: 3-hexyl-5'-{3'-hexyl-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene

InChI: InChI=1S/C28H34S4/c1-3-5-7-9-11-21-17-19-29-27(21)25-15-13-23(31-25)24-14-16-26(32-24)28-22(18-20-30-28)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3

Composition: C (67.42%), H (6.87%), S (25.71%)

Molar Mass: 498.82

Atom Count: 66

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	498.154335791
Formal Charge	0
FSP3	0.43
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	MLDVGCCQHBDHDR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	144.69
Topological Polar Surface Area	0
Polarizability	59.86
Ring Count	4
Rotatable Bond Count	13

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