Name: Name:2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-dihexyl-
Brand: Angene
SKU: AG00117L
Rating: 90 (10 reviews)

2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-dihexyl-

CAS No.:

132814-91-6

Catalog Number:

AG00117L

Molecular Formula:

C28H34S4

Molecular Weight:

498.8296

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Product Description

Catalog Number:

AG00117L

Chemical Name:

2,2':5',2'':5'',2'''-Quaterthiophene, 3,3'''-dihexyl-

CAS Number:

132814-91-6

Molecular Formula:

C28H34S4

Molecular Weight:

498.8296

MDL Number:

MFCD10567045

IUPAC Name:

2-(3-hexylthiophen-2-yl)-5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophene

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

InChI Key:

MLDVGCCQHBDHDR-UHFFFAOYSA-N

SMILES:

CCCCCCc1ccsc1c1ccc(s1)c1ccc(s1)c1sccc1CCCCCC

Properties

Complexity:

480

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

498.154g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

498.82g/mol

Monoisotopic Mass:

498.154g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

11.7

Literature

Title	Journal
Substrate-induced varied conformation and molecular assemblies: in situ STM observation of beta-substituted oligothiophene adlayers on Au(111).	Langmuir : the ACS journal of surfaces and colloids 20100518