Alpha-sexithiophene

C₂₄H₁₄S₆CAS 88493-55-4494.74 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₁₄S₆
Molar mass: 494.74 g/mol
Exact mass: 493.9420 Da
logP: 10.39Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

88493-55-4

SMILES

C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=C(S5)C6=CC=CS6

InChIKey

KUJYDIFFRDAYDH-UHFFFAOYSA-N

InChI

InChI=1S/C24H14S6/c1-3-15(25-13-1)17-5-7-19(27-17)21-9-11-23(29-21)24-12-10-22(30-24)20-8-6-18(28-20)16-4-2-14-26-16/h1-14H

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Names and synonyms

1 names

Sexithiophene

Work with Alpha-sexithiophene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Terthiophene1081-34-1100 % similar Alpha-quinquethiophene5660-45-7100 % similar 2,2′-Bithiophene492-97-776 % similar 2,2':5',2''-Terthiophene-5-carboxaldehyde7342-41-863 % similar [2,2'-Bithiophene]-5-carboxaldehyde3779-27-959 % similar 2-Phenylthiophene825-55-852 % similar 2-(4-Fluorophenyl)thiophene58861-48-644 % similar 4-Thiophen-2-ylphenylamine70010-48-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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