2-Amino-5-phenylthiophene-3-carboxamide

HCID 703965

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Grundinformationen

CAS: 4815-35-4
Standard-SMILES: NC(=O)c1cc(-c2ccccc2)sc1N
InChIKey: UHEGYTDIDBFUJD-UHFFFAOYSA-N
Summenformel: C11H10N2OS
Durchschnittliche Molmasse: 218,28 g/mol
Monoisotopische Masse: 218,05138412

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-phenylthiophene-3-carboxamide
IUPAC: 2-amino-5-phenylthiophene-3-carboxamide
Englischer Name: 2-Amino-5-phenyl-3-thiophenecarboxamide
Summenformel: C11H10N2OS
Molmasse: 218.27

Namen und Synonyme

4815-35-42-amino-5-phenylthiophene-3-carboxamideDTXSID60351580RefChem:255758DTXCID903026462-Amino-5-phenyl-thiophene-3-carboxylic acid amide2-AMINO-5-PHENYL-3-THIOPHENECARBOXAMIDEMFCD01314303CHEMBL382565F0863-0293CBMicro_037044Cambridge id 5914467

Weitere Namen anzeigen

2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC3-Thiophenecarboxamide, 2-amino-5-phenyl-2-AMINO-5-PHENYL-THIOPHENE-3-CARBOXYLIC, 10 mM in DMSO2 AMINO 5 PHENYL THIOPHENE 3 CARBOXYLIC,2AMINO5PHENYLTHIOPHENE3CARBOXYLIC

IKK|A-IN-4Oprea1_326775Oprea1_4454442-amino-5-phenyl-3-thenamideorb1217993orb1298534SCHEMBL3508467SCHEMBL3510525

Datenbank-Bezeichner

CAS: 4815-35-4
PubChem CID: 703965
DTXSID: DTXSID60351580
ChEMBL: CHEMBL382565
EC Number: 978-116-4
Nikkaji: J3.006.852A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 97,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 241

Physikochemische Eigenschaften

Schmelzpunkt: 218 · 218-220 °C
Siedepunkt: 395.2 · 395.2±42.0 °C(Predicted)
Dichte: 1.321 · 1.321±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Sparingly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 15.48 · 15.48±0.50(Predicted)
Farbe: Light Yellow to Very Dark Orange

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 29349990
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen

Verwenden2-AMino-5-phenyl-thiophene-3-carboxylic acid aMide is an 2-Aminothiophene-3-carboxamide derivative and a known inhibitor of janus kinases used in the treatment of myeloproliferative disorders and cancers.