1-(2-Pyridyl)-2-thiourea

HCID 1490491CAS 14294-11-2

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Grundinformationen

Standard-SMILES: NC(=S)Nc1ccccn1
InChIKey: SLUHLANJIVXTRQ-UHFFFAOYSA-N
Summenformel: C6H7N3S
Durchschnittliche Molmasse: 153,21 g/mol
Monoisotopische Masse: 153,03606822

Namen und Bezeichner

Bevorzugter Name: 1-(2-Pyridyl)-2-thiourea
IUPAC: pyridin-2-ylthiourea
Englischer Name: 2-PYRIDYLTHIOUREA
Summenformel: C6H7N3S
Molmasse: 153.2

Namen und Synonyme

1-(2-Pyridyl)-2-thioureaRefChem:422649673-673-71-(Pyridin-2-yl)thiourea14294-11-22-pyridylthioureapyridin-2-ylthioureaN-2-pyridinyl-Thiourea(pyridin-2-yl)thiourea(2-Pyridyl)thioureaMFCD00041227N-(2-Pyridyl)thiourea

Weitere Namen anzeigen

1-PYRIDIN-2-YLTHIOUREAAKOS BBS-00007311N-PYRIDIN-2-YLTHIOUREAThiourea,N-2-pyridinyl-N-(2-Pyridyl)thiourea, 98%1-(Pyridin-2-yl)thiourea 98%

amino(2-pyridylamino)methane-1-thionepyridin-2-yl-thiourea2-pyridyl thioureaNSC176341N-pyridin-2-yl-thiourea3-(2-pyridyl)isothioureaN-(Pyridin-2-yl)thioureaSCHEMBL525427

Datenbank-Bezeichner

CAS: 14294-11-2
PubChem CID: 1490491
DTXSID: DTXSID40363424
EC Number: 673-673-7
Nikkaji: J1.211.614D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 83 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 148 · 148-150°C
Siedepunkt: 298.7 · 298.7±32.0 °C(Predicted)
Dichte: 1.382 · 1.382±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: powder to crystal
pka: 12 · 12.00±0.70(Predicted)
Farbe: White to Light yellow
BRN: 117849 · 117849
InChI: InChI=1S/C6H7N3S/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H3,7,8,9,10)
InChIKey: SLUHLANJIVXTRQ-UHFFFAOYSA-N
SMILES: N(C1=NC=CC=C1)C(N)=S
CAS Datenbank: 14294 · 14294-11-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (14.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (14.6%)

Sicherheitsdaten

ridadr: 2811
hs_code: 2933399990
risk_code: 36/37/38
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: III

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Pyridylthiourea is an intermediate used to prepare disubstituted thiazoles as potential antibacterial and antiinflammatory agents via condensation of phenacyl bromide with thioureas and thiosemicarbazones. It is also used in the synthesis of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors.