3-Hexadecylthiophene

C₂₀H₃₆SCAS 119269-24-8308.57 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₃₆S
Molar mass: 308.57 g/mol
Exact mass: 308.2538 Da
logP: 7.77Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 15

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

119269-24-8

SMILES

CCCCCCCCCCCCCCCCC1=CSC=C1

InChIKey

FRVZSODZVJPMKO-UHFFFAOYSA-N

InChI

InChI=1S/C20H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21-19-20/h17-19H,2-16H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Hexadecylthiophene

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

Poly(3-hexylthiophene)104934-50-1100 % similar 3-Dodecylthiophene104934-52-3100 % similar 3-N-Octadecylthiophene104934-54-5100 % similar 3-Tetradecylthiophene110851-66-6100 % similar 3-Hexylthiophene1693-86-3100 % similar 3-Decylthiophene65016-55-9100 % similar 3-Octylthiophene65016-62-8100 % similar 3-Nonylthiophene65016-63-9100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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