Dibenzo[b,f][1,4]thiazepin-11(10H)-one
Properties
- Molecular formula
- C13H9NOS
- Molar mass
- 227.28 g/mol
- Exact mass
- 227.0405 Da
- Melting point
- 257–259 °C
- logP
- 3.79Crippen estimate
- Polar surface area
- 32.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed20% of notifiers
- H315 Causes skin irritation10% of notifiers
- H319 Causes serious eye irritation10% of notifiers
- H335 May cause respiratory irritation10% of notifiers
- H413 May cause long lasting harmful effects to aquatic life10% of notifiers
Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3159-07-7SMILES
OC1=Nc2ccccc2Sc2ccccc21InChIKey
RTERDTBXBYNZIS-UHFFFAOYSA-NInChI
InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 10,11-Dihydro-11-oxodibenz[b,f][1,4]thiazepine
- NSC 653252
- Dibenzo[b,f][1,4]thiazepine-11(10-H)-one
- 10,11-Dihydrodibenzo[b,f][1,4]thiazepin-11-one
- 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
- Dibenzothiazepinone
Work with Dibenzo[b,f][1,4]thiazepin-11(10H)-one
Similar compounds
11-Chlorodibenzo(b,f)(1,4)thiazepine13745-86-361 % similar
Quetiapine dimer impurity945668-94-056 % similar
2,2'-Dibenzoylaminodiphenyl disulfide135-57-953 % similar
Norquetiapine5747-48-849 % similar
Densil P2527-58-449 % similar
Benz(cd)indol-2(1H)-one130-00-747 % similar
11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride111974-74-445 % similar
Quetiapine111974-69-742 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.