chempirical

2-(Methylthio)-10H-phenothiazine

C13H11NS2CAS 7643-08-5245.36 g/mol

Open in Covalent MOL file
SNHS
Secondary amineSulfide

Properties

Molecular formula
C13H11NS2
Molar mass
245.36 g/mol
Exact mass
245.0333 Da
Melting point
137.5–139.5 °C
Boiling point
190–200 °C (at 0.05 Torr)
logP
4.62Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
7643-08-5
SMILES
CSc1ccc2c(c1)Nc1ccccc1S2
InChIKey
OBVKBOLDEFIQDP-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3

Weigh it out

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

Names and synonyms

7 names
  • 10H-Phenothiazine, 2-(methylthio)-
  • Phenothiazine, 2-(methylthio)-
  • 3-(Methylthio)phenothiazine
  • 2-(Methylthio)phenothiazine
  • 2-Methylthio-10H-phenothiazine
  • 2-(Methylsulfanyl)-10H-phenothiazine
  • 2-Methylsulfanyl-10H-phenothiazine

Work with 2-(Methylthio)-10H-phenothiazine

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

Phenothiazine92-84-259 % similar 2-Chlorophenothiazine92-39-756 % similar 2-Methoxy-10H-phenothiazine1771-18-255 % similar 10H-Phenothiazine-2-carbonitrile38642-74-953 % similar 2-(Trifluoromethyl)-10H-phenothiazine92-30-851 % similar 2-Acetylphenothiazine6631-94-351 % similar Thioanisole100-68-538 % similar 1-Chloro-3-(methylthio)benzene4867-37-235 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook