Thiazolidin

Thiazolidine

HCID 10444CAS 504-78-9

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Grundinformationen

Standard-SMILES: C1CSCN1
InChIKey: OGYGFUAIIOPWQD-UHFFFAOYSA-N
Summenformel: C3H7NS
Durchschnittliche Molmasse: 89,16 g/mol
Monoisotopische Masse: 89,0299204

Namen und Bezeichner

Bevorzugter Name: Thiazolidine
IUPAC: 1,3-thiazolidine
Lokaler Name: Thiazolidin
Englischer Name: Thiazolidine
Summenformel: C3H7NS
Molmasse: 89.16

Namen und Synonyme

THIAZOLIDINE504-78-91,3-ThiazolidineTetrahydrothiazoleThiazolidinesI320806BKWNSC-357911CHEBI:50120DTXSID10198447RefChem:389315CHEBI:35622CHEBI:38333

Weitere Namen anzeigen

Teneint-HRing ParentThiazolidine >Thiazolidine 95%Thiazolidine ,98%Cysteine Impurity 11

DTXCID40120938208-002-51-Thia-3-azacyclopentaneThiazole, tetrahydro-MFCD00005211CHEMBL1916078CCRIS 4275EINECS 208-002-5

Datenbank-Bezeichner

CAS: 504-78-9
PubChem CID: 10444
DTXSID: DTXSID10198447
ChEMBL: CHEMBL1916078
ChEBI: CHEBI:50120
UNII: I320806BKW
EC Number: 208-002-5
Nikkaji: J149.955F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 30

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index · 2 Einträge

902；903；909

1460

Physikochemische Eigenschaften

Siedepunkt: 72 · 72-75 °C/25 mmHg (lit.)
Dichte: 1.131 g/mL · 1.131 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5508(lit.)
Flammpunkt: 133 °F · 133 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
pka: 8.84 · 8.84±0.20(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless
InChI: 1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2
InChIKey: OGYGFUAIIOPWQD-UHFFFAOYSA-N
SMILES: C1CSCN1
LogP: -1.725 · -1.725 (est)
CAS Datenbank: 504 · 504-78-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (10.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (10.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (10.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.