Dibenzo[b,e]thiepin-11(6H)-one

C₁₄H₁₀OSCAS 1531-77-7226.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₀OS
Molar mass: 226.29 g/mol
Exact mass: 226.0452 Da
Melting point: 80–87 °C
Boiling point: 162–165 °C (at 0.1 Torr)
logP: 3.52Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation58.3% of notifiers
H319 Causes serious eye irritation58.3% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1531-77-7

SMILES

O=C1c2ccccc2CSc2ccccc21

InChIKey

JGJDEWXZEIHBNW-UHFFFAOYSA-N

InChI

InChI=1S/C14H10OS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2

Weigh it out

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

Names and synonyms

4 names

Homothioxanthone
6,11-Dihydro-11-oxodibenzo[b,e]thiepin
6,11-Dihydrodibenzo[b,e]thiepin-11-one
6,11-Dihydrodibenz[b,e]thiepin-11-one

Work with Dibenzo[b,e]thiepin-11(6H)-one

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

Dibenzosuberone1210-35-157 % similar Anthrone90-44-857 % similar Dibenz[b,e]oxepin-11(6H)-one4504-87-447 % similar Anthraquinone84-65-146 % similar Benzo[b]thiophen-2(3H)-one496-31-143 % similar Bianthrone434-85-542 % similar Fluorenone486-25-942 % similar Solvent yellow 16313676-91-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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