chempirical

2-Acetylphenothiazine

C14H11NOSCAS 6631-94-3241.31 g/mol

Open in Covalent MOL file
ONHS
KetoneSecondary amineSulfide

Properties

Molecular formula
C14H11NOS
Molar mass
241.31 g/mol
Exact mass
241.0561 Da
Melting point
188–189 °C
logP
4.10Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
6631-94-3
SMILES
CC(=O)c1ccc2c(c1)Nc1ccccc1S2
InChIKey
JWGBOHJGWOPYCL-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3

Weigh it out

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

Names and synonyms

7 names
  • Ethanone, 1-(10H-phenothiazin-2-yl)-
  • Ketone, methyl phenothiazin-2-yl
  • 1-(10H-Phenothiazin-2-yl)ethanone
  • 2-Acetyl-10H-phenothiazine
  • NSC 169669
  • NSC 57951
  • 1-(10H-Phenothiazin-2-yl)ethan-1-one

Work with 2-Acetylphenothiazine

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

Phenothiazine92-84-252 % similar 2-(Methylthio)-10H-phenothiazine7643-08-551 % similar 2-Methoxy-10H-phenothiazine1771-18-250 % similar 2-Chlorophenothiazine92-39-750 % similar 10H-Phenothiazine-2-carbonitrile38642-74-948 % similar 2-(Trifluoromethyl)-10H-phenothiazine92-30-847 % similar 2-Acetylnaphthalene93-08-346 % similar 1-[4-(Phenylthio)phenyl]ethanone10169-55-845 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook