Grundinformationen
- Standard-SMILES
CC1SC(C)N2CCCC2S1- InChIKey
OJEOXDLLIADRBL-UHFFFAOYSA-N- Summenformel
- C8H15NS2
- Durchschnittliche Molmasse
- 189,3 g/mol
- Monoisotopische Masse
- 189,06459183
Namen und Bezeichner
- Bevorzugter Name
- 4H-Pyrrolo2,1-d-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, 2S-(2alpha,4alpha,8abeta)-
- IUPAC
- 2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
Namen und Synonyme
4H-Pyrrolo2,1-d-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, 2S-(2.alpha.,4.alpha.,8a.beta.)-RefChem:5273964H-Pyrrolo2,1-d-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, 2S-(2alpha,4alpha,8abeta)-Pyrrolidino[1,2-e]-4H-1,3,5-dithiazine, 2,4-dimethyl2,4-dimethyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazineSCHEMBL10513129NS00124071Pyrrolidino[1,2-e]-4H-2,4-dimethyl-1,3,5-dithiazine2,4-dimethyltetrahydropyrrolo[2.1-d]-[1,3,5]-dithiazine
Datenbank-Bezeichner
- CAS
116505-60-3- PubChem CID
- 529068
- Nikkaji
- J583.542I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 53,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Experimentelle und physikochemische Eigenschaften
Solubilityvery slightly
Boiling Point235.00 °C. @ 760.00 mm Hg
Melting Point130.00 °C. @ 760.00 mm Hg
Kovats Retention Index
1462；1462
1990
Sicherheit und Regulatorisches
Gefahrenhinweise
Regulatory Information4H-Pyrrolo2,1-d-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, 2S-(2.alpha.,4.alpha.,8a.beta.)-: Does not have an individual approval but may be used under an appropriate group standard
Regulatorische Informationen
Regulatory Information4H-Pyrrolo2,1-d-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, 2S-(2.alpha.,4.alpha.,8a.beta.)-: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm；Extracellular
Zugehörige Reaktionen
1
Verknüpfte Notizen
Wird geladen…