2-Thiophenesulfonamide

HCID 72881CAS 6339-87-3

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Grundinformationen

Standard-SMILES: NS(=O)(=O)c1cccs1
InChIKey: KTFDYVNEGTXQCV-UHFFFAOYSA-N
Summenformel: C4H5NO2S2
Durchschnittliche Molmasse: 163,2 g/mol
Monoisotopische Masse: 162,9761704

Überblick

2-Thiophenesulfonamide is a member of thiophenes.

Namen und Bezeichner

Bevorzugter Name: 2-Thiophenesulfonamide
IUPAC: thiophene-2-sulfonamide
Englischer Name: Thiophene-2-sulfonamide
Summenformel: C4H5NO2S2
Molmasse: 163.22

Namen und Synonyme

2-Thiophenesulfonamide6339-87-3Sulfamido-2 thiopheneSulfamido-2 thiophene [French]BRN 0123537P6Q26TS6AUNSC 42521NSC-42521DTXSID802128015-18-09-00426 (Beilstein Handbook Reference)RefChem:483799DTXCID70135292

Weitere Namen anzeigen

BUTTPARK 44\07-11Thiophene-Α-SulfonamideTHIOPHENE-A-SULFONAMIDEThiophene-2-sulphonamideTHIOPHENE-ALPHA-SULFONAMIDE2-Thiophenesulfonamide(6CI,7CI,8CI,9CI)

624-211-8thiophene-2-sulfonamide2-ThienylsulfonamideThiophenesulfonamideThiophene sulfonamideMFCD00185853Thiophene-2-sulfonic acid amideCHEBI:79403

Datenbank-Bezeichner

CAS: 6339-87-3
PubChem CID: 72881
DTXSID: DTXSID80212801
ChEMBL: CHEMBL3265256
ChEBI: CHEBI:79403
UNII: P6Q26TS6AU
EC Number: 624-211-8
Nikkaji: J59.669H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 96,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 181

Experimentelle und physikochemische Eigenschaften

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physikochemische Eigenschaften

Schmelzpunkt: 137 · 137-141 °C
Siedepunkt: 338.1 · 338.1±34.0 °C(Predicted)
Dichte: 1.513 · 1.513±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 9.94 · 9.94±0.60(Predicted)
Farbe: White to Light yellow to Light orange
InChI: 1S/C4H5NO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H,(H2,5,6,7)
InChIKey: KTFDYVNEGTXQCV-UHFFFAOYSA-N
SMILES: NS(=O)(=O)c1cccs1
CAS Datenbank: 6339 · 6339-87-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.