2-(Methylthio)-10H-phenothiazine
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
Hazards
Warning
- H302 Harmful if swallowed71.4% of notifiers
- H315 Causes skin irritation42.9% of notifiers
- H317 May cause an allergic skin reaction42.9% of notifiers
- H319 Causes serious eye irritation42.9% of notifiers
- H335 May cause respiratory irritation14.3% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure28.6% of notifiers
- H400 Very toxic to aquatic life28.6% of notifiers
- H410 Very toxic to aquatic life with long lasting effects28.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects14.3% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
7643-08-5SMILES
CSc1ccc2c(c1)Nc1ccccc1S2InChIKey
OBVKBOLDEFIQDP-UHFFFAOYSA-NInChI
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,1H3Weigh 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
Similar compounds
Phenothiazine92-84-259 % similar
2-Chlorophenothiazine92-39-756 % similar
Methyl phenothiazin-2-yl ether1771-18-255 % similar
10H-Phenothiazine-2-carbonitrile38642-74-953 % similar
2-(Trifluoromethyl)-10H-phenothiazine92-30-851 % similar
2-Acetylphenothiazine6631-94-351 % similar
2-Methylmercaptonaphthalene7433-79-643 % similar
Thioanisole100-68-538 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.