Dibenzo[B,F][1,4]thiazepin-11(10H)-one

C₁₃H₉NOSCAS 3159-07-7227.28 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

3159-07-7

SMILES

OC1=Nc2ccccc2Sc2ccccc21

InChIKey

RTERDTBXBYNZIS-UHFFFAOYSA-N

InChI

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

5 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

Work with Dibenzo[B,F][1,4]thiazepin-11(10H)-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

11-Chlorodibenzo[B,F][1,4]thiazepine13745-86-361 % similar N,N′-(Dithiodi-2,1-phenylene)bis[benzamide]135-57-953 % similar Norquetiapine5747-48-849 % similar Densil P2527-58-449 % similar Naphtholactam130-00-747 % similar 11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride111974-74-445 % similar Quetiapine111974-69-742 % similar 2H-1,4-Benzothiazin-3(4H)-one5325-20-242 % similar

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

Same formula

2-(2′-Hydroxyphenyl)benzothiazole3411-95-8 1-Isothiocyanato-4-phenoxybenzene3529-87-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook