7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione

C₁₅H₁₁ClN₂SCAS 4547-02-8286.78 g/mol

Open in Covalent MOL file

Aryl halide Imine Thiol

Properties

Molecular formula: C₁₅H₁₁ClN₂S
Molar mass: 286.78 g/mol
Exact mass: 286.0331 Da
Melting point: 244–246 °C
logP: 4.15Crippen estimate
Polar surface area: 24.7 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

4547-02-8

SMILES

SC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NC1

InChIKey

ULILTJWAJZIROM-UHFFFAOYSA-N

InChI

InChI=1S/C15H11ClN2S/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

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

Names and synonyms

3 names

2H-1,4-Benzodiazepine-2-thione, 7-chloro-1,3-dihydro-5-phenyl-
Demethylsulazepam
1,3-Dihydro-7-chloro-5-phenyl-2H-1,4-benzodiazepine-2-thione

Work with 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione

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

Delorazepam2894-67-952 % similar Oxazepam604-75-151 % similar Desalkylflurazepam2886-65-949 % similar Diazepam439-14-548 % similar Estazolam29975-16-445 % similar 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one2898-08-045 % similar 2-Chloroacetamido-5-chlorobenzophenone4016-85-744 % similar Demoxepam963-39-344 % similar

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

Elsewhere

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