chempirical

2-Chlorophenothiazine

C12H8ClNSCAS 92-39-7233.71 g/mol

Open in Covalent MOL file
ClNHS
Aryl halideSecondary amineSulfide

Properties

Molecular formula
C12H8ClNS
Molar mass
233.71 g/mol
Exact mass
233.0066 Da
Melting point
199.5 °C
logP
4.55Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
92-39-7
SMILES
Clc1ccc2c(c1)Nc1ccccc1S2
InChIKey
KFZGLJSYQXZIGP-UHFFFAOYSA-N
InChI
InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H

Weigh it out

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

Names and synonyms

6 names
  • 10H-Phenothiazine, 2-chloro-
  • Phenothiazine, 2-chloro-
  • 2-Chloro-10H-phenothiazine
  • NSC 170953
  • NSC 17469
  • NSC 67188

Work with 2-Chlorophenothiazine

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

Phenothiazine92-84-263 % similar 10H-Phenothiazine-2-carbonitrile38642-74-956 % similar 2-(Methylthio)-10H-phenothiazine7643-08-556 % similar 2-Methoxy-10H-phenothiazine1771-18-254 % similar 2-(Trifluoromethyl)-10H-phenothiazine92-30-854 % similar 3-Chloroiminodibenzyl32943-25-250 % similar 2-Acetylphenothiazine6631-94-350 % similar Lobenzarit63329-53-343 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook