5-Amino-1,3-dihydro-2lambda6-benzothiophene-2,2-dione

HCID 2821917

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Grundinformationen

CAS: 70654-85-2
Standard-SMILES: Nc1ccc2c(c1)CS(=O)(=O)C2
InChIKey: HFUIQDXPKOCDLV-UHFFFAOYSA-N
Summenformel: C8H9NO2S
Durchschnittliche Molmasse: 183,23 g/mol
Monoisotopische Masse: 183,03539953

Namen und Bezeichner

Bevorzugter Name: 5-Amino-1,3-dihydro-2lambda6-benzothiophene-2,2-dione
IUPAC: 2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amine
Englischer Name: 2,2-Dioxo-1,3-dihydrobenzo[c]thiophene-5yl amine
Summenformel: C8H9NO2S
Molmasse: 183.23

Namen und Synonyme

5-amino-1,3-dihydro-2lambda6-benzothiophene-2,2-dioneRefChem:531950690-650-770654-85-25-amino-1,3-dihydrobenzo[c]thiophene 2,2-dioxide2,2-dioxo-1,3-dihydrobenzo[c]thiophene-5yl amine2,2-dioxo-1,3-dihydro-2-benzothiophen-5-amineMFCD001782612,2-DIOXO-1,3-DIHYDROBENZO[C]THIOPHENE-5-YLAMINE2,2-Dioxo-1,3-dihydrobenzo[c]thiophen-5-amine5-Amino-1,3-dihydrobenzo[c]thiophene2,2-dioxideSCHEMBL265690

Weitere Namen anzeigen

2,2-Dioxo-1,3-dihydrobenzo[c]thiophen-5-ylamine5-Amino-1,3-dihydro-2λ6-benzothiophene-2,2-dione5-Amino-2,3-dihydro-1H-benzo[c]thiophene-2,2-dione2,2-Dioxo-1,3-dihydrobenzo[c]thiophene-5yl amine, Tech.

SCHEMBL9924125-amino-1,3-dihydro-2|E6-benzothiophene-2,2-dioneBenzo[c]thiophen-5-amine, 1,3-dihydro-, 2,2-dioxideSCHEMBL29657685DTXSID70384905HFUIQDXPKOCDLV-UHFFFAOYSA-NSBB090063AKOS006282753

Datenbank-Bezeichner

CAS: 70654-85-2
PubChem CID: 2821917
DTXSID: DTXSID70384905
EC Number: 690-650-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 68,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 267

Physikochemische Eigenschaften

Schmelzpunkt: 186 °C · 186 °C
Siedepunkt: 483.4 · 483.4±45.0 °C(Predicted)
Dichte: 1.438 · 1.438±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 3.48 · 3.48±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.