11-Chlorodibenzo[B,F][1,4]thiazepine

C₁₃H₈ClNSCAS 13745-86-3245.72 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₈ClNS
Molar mass: 245.72 g/mol
Exact mass: 245.0066 Da
Melting point: 110–111 °C
logP: 4.47Crippen estimate
Polar surface area: 12.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

13745-86-3

SMILES

ClC1=Nc2ccccc2Sc2ccccc21

InChIKey

ZFOZNNFYECYUQB-UHFFFAOYSA-N

InChI

InChI=1S/C13H8ClNS/c14-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)15-13/h1-8H

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Names and synonyms

1 names

Dibenzo[b,f][1,4]thiazepine, 11-chloro-

Work with 11-Chlorodibenzo[B,F][1,4]thiazepine

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

Dibenzo[B,F][1,4]thiazepin-11(10H)-one3159-07-761 % similar Norquetiapine5747-48-851 % similar 11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride111974-74-448 % similar Quetiapine111974-69-738 % similar 2H-1,4-Benzothiazin-3(4H)-one5325-20-237 % similar N,N′-(Dithiodi-2,1-phenylene)bis[benzamide]135-57-936 % similar Thianthrene92-85-336 % similar Phenothiazine92-84-233 % similar

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

Elsewhere

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