Grundinformationen
- Standard-SMILES
O=S(=O)(Cl)c1c(Cl)nc2sccn12- InChIKey
APRATEMYDZDYJD-UHFFFAOYSA-N- Summenformel
- C5H2Cl2N2O2S2
- Durchschnittliche Molmasse
- 257,1 g/mol
- Monoisotopische Masse
- 255,89347466
Namen und Bezeichner
- Bevorzugter Name
- 6-Chloroimidazo(2,1-b)(1,3)thiazole-5-sulfonyl chloride
- IUPAC
- 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chloride
- Englischer Name
- 6-CHLOROIMIDAZO[2,1-B][1,3]THIAZOLE-5-SULFONYL CHLORIDE
- Summenformel
- C5H2Cl2N2O2S2
- Molmasse
- 257.12
Namen und Synonyme
150020-64-76-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl chlorideDTXSID903841046-Chloroimidazo(2,1-b)(1,3)thiazole-5-sulfonyl chlorideRefChem:308128DTXCID60335128673-115-26-Chloroimidazo[2,1-b]thiazole-5-sulfonyl chlorideMFCD002051396-chloroimidazo[2,1-b]thiazole-5-sulfonylchloride6-chloro-5-imidazo[2,1-b]thiazolesulfonyl chlorideC5H2Cl2N2O2S2
Weitere Namen anzeigen
BUTTPARK 37\12-526-Chloroimidazo[2,1-b]thiazole-5-sulfonyl6-CHLOROMIDAZO[2,1-B][1,3]THIAZOLE-5-SULFONYL C6-Chloroimidazo[2,1-b]thiazole-5-sulfonylchloride,97%6-Chloroimidazo[2,1-b][1,3]thiazole-5-sulphonyl chloride
Imidazo[2,1-b]thiazole-5-sulfonyl chloride, 6-chloro-6-CHLOROIMIDAZO[2,1-B][1,3]THIAZOLE-5-SULFONYLCHLORIDESCHEMBL344080APRATEMYDZDYJD-UHFFFAOYSA-N(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl chlorideAGA02064SBB101828AKOS000142360
Datenbank-Bezeichner
- CAS
150020-64-7- PubChem CID
- 2799717
- DTXSID
DTXSID90384104- EC Number
- 673-115-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 88,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 304
Physikochemische Eigenschaften
- Schmelzpunkt
- 137 °C · 137 °C
- Dichte
- 2.05 · 2.05±0.1 g/cm3(Predicted)
- pka
- -5.33 · -5.33±0.40(Predicted)
- Wasserlöslichkeit
- Sparingly soluble in water.(0.26 g/L) (25°C),
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- ridadr
- 3261
- hs_code
- 2934999090
- risk_code
- 34
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39
- hazard_class
- 8
Chemie und Industrie
Anwendungen
VerwendenIt is used as pharmaceutical intermediate. Benzoylthiophenes are allosteric enhancers (AE) of agonist activity at the A1 adenosine receptor.
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