Phenothiazine

C₁₂H₉NSCAS 92-84-2199.27 g/mol

Open in Covalent MOL file

Secondary amine Sulfide

Properties

Molecular formula: C₁₂H₉NS
Molar mass: 199.27 g/mol
Exact mass: 199.0456 Da
Density: 1.34 g/mL
Melting point: 185.1 °C
Boiling point: 371 °C
pKa: 2.52
Flash point: 202 °C
Water solubility: < 1 g/L (20 °C)
logP: 3.89Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed94.2% of notifiers
H317 May cause an allergic skin reaction97.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure93.9% of notifiers
H400 Very toxic to aquatic life11.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects11.9% of notifiers
H412 Harmful to aquatic life with long lasting effects83.2% of notifiers

Aggregated from 3,466 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P319, P321, P330, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

92-84-2

SMILES

c1ccc2c(c1)Nc1ccccc1S2

InChIKey

WJFKNYWRSNBZNX-UHFFFAOYSA-N

InChI

InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H

Weigh it out

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

Names and synonyms

24 names · show all

10H-Phenothiazine
ENT 38
Contaverm
Dibenzothiazine
Feeno
Fenoverm
Padophene
Penthazine
Phenegic
Phenovis
Phenoxur
Phenthiazine
Thiodiphenylamine
Dibenzo-1,4-thiazine
Early bird wormer
Nemazene
Reconox
Nexarbol
Orimon
Phenoverm
Phenzeen
Danikoropa
Antage TDP
NSC 2037

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chlorophenothiazine92-39-763 % similar 10H-Phenothiazine-2-carbonitrile38642-74-959 % similar 2-(Methylthio)-10H-phenothiazine7643-08-559 % similar Methyl phenothiazin-2-yl ether1771-18-257 % similar 2-(Trifluoromethyl)-10H-phenothiazine92-30-857 % similar 5,10-Dihydro-phenazine613-32-156 % similar Thianthrene92-85-356 % similar 2-Acetylphenothiazine6631-94-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Naphthalenemethyl isothiocyanate17112-82-2 3-Dibenzothiophenamine25288-76-0 2-Methylnaphtho[1,2-d]thiazole2682-45-3 2-Methylnaphtho[2,3-d]thiazole6957-25-1 2-Dibenzothiophenamine7428-91-3

Elsewhere

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