Grundinformationen
- Standard-SMILES
CC(=O)SCC(=O)ON1C(=O)CCC1=O- InChIKey
FLCQLSRLQIPNLM-UHFFFAOYSA-N- Summenformel
- C8H9NO5S
- Durchschnittliche Molmasse
- 231,23 g/mol
- Monoisotopische Masse
- 231,02014356
Namen und Bezeichner
- Bevorzugter Name
- N-Hydroxysuccinimide S-acetylthioacetate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 2-acetylsulfanylacetate
- Lokaler Name
- S-(2-((2,5-Dioxo-1-pyrrolidinyl)-oxy)oxoethyl)ethanthionsäureester
- Englischer Name
- N-Succinimidyl S-Acetylthioglycolate
- Summenformel
- C8H9NO5S
- Molmasse
- 231.23
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
76931-93-6- PubChem CID
- 127532
- DTXSID
DTXSID40227719- UNII
- RB29HWG69L
- EC Number
- 678-479-6
- Nikkaji
- J367.649H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 106 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 311
Physikochemische Eigenschaften
- Schmelzpunkt
- 84 · 84-89 °C
- Siedepunkt
- 337.3 · 337.3±44.0 °C(Predicted)
- Dichte
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 50 mg/mL · acetonitrile: 50 mg/mL
- Aggregatzustand
- powder
- Farbe
- White to Off-White
- BRN
- 7815491 · 7815491
- Stabilität
- Moisture Sensitive
- InChI
- InChI=1S/C8H9NO5S/c1-5(10)15-4-8(13)14-9-6(11)2-3-7(9)12/h2-4H2,1H3
- InChIKey
- FLCQLSRLQIPNLM-UHFFFAOYSA-N
- SMILES
- C(ON1C(=O)CCC1=O)(=O)CSC(C)=O
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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.
Gefahrenhinweise
Sicherheitsdaten
- F
- 3-10-23
- wgk
- 3
- hs_code
- 29309090
- safety_code
- 25/26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenN-Succinimidyl S-Acetylthioglycolate can be used as Thiolating reagent for primary amines; thiol can be deprotected under mild conditions and be useful for preparation of enzyme immunoconjugates and hapten carrier molecule conjugates.
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