4-Methylthiazol-2-ylamin

2-Amino-4-methylthiazole

HCID 74143CAS 1603-91-4

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Grundinformationen

Standard-SMILES: Cc1csc(N)n1
InChIKey: OUQMXTJYCAJLGO-UHFFFAOYSA-N
Summenformel: C4H6N2S
Durchschnittliche Molmasse: 114,17 g/mol
Monoisotopische Masse: 114,02516919

Namen und Bezeichner

Bevorzugter Name: 2-Amino-4-methylthiazole
IUPAC: 4-methyl-1,3-thiazol-2-amine
Lokaler Name: 4-Methylthiazol-2-ylamin
Englischer Name: 2-Amino-4-methylthiazole
Summenformel: C4H6N2S
Molmasse: 114.17

Namen und Synonyme

2-Amino-4-methylthiazole1603-91-42-Thiazolamine, 4-methyl-4-Methyl-1,3-thiazol-2-amineaminomethiazole4-METHYL-2-THIAZOLAMINENormotiroide2-amino-4-methyl-1,3-thiazoleNomortiroide4-Methyl-2-thiazolylamine4-Methylthiazol-2-ylamineEINECS 216-505-6

Weitere Namen anzeigen

24TTIMTEC-BB SBB004307Mirabelon Impurity 45AMino-4-MethylthiazoleLABOTEST-BB LT000806444-metyl-2-thiazolamine

NSC-40462AI3-61054R95713542RDTXSID40166856NSC 404622-AMINO-4-METHYLTHIAZOLE [MI]RefChem:464352DTXCID6089347

Datenbank-Bezeichner

CAS: 1603-91-4
PubChem CID: 74143
DTXSID: DTXSID40166856
ChEMBL: CHEMBL505019
UNII: R95713542R
EC Number: 216-505-6
Nikkaji: J568A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 67,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 66,7

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Solubility10.8 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-47 °C (lit.)
Siedepunkt: 231 · 231-232 °C (lit.)
Dichte: 1.176 · 1.176 (estimate)
Brechungsindex: 1.5 · 1.5000 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: solid
pka: 5.36 · 5.36±0.10(Predicted)
Farbe: White to Yellow to Green
Wasserlöslichkeit: soluble
Merck: 14 · 14,450
BRN: 107890 · 107890
InChI: 1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
InChIKey: OUQMXTJYCAJLGO-UHFFFAOYSA-N
SMILES: Cc1csc(N)n1
LogP: 0.84 · 0.840 (est)
CAS Datenbank: 1603 · 1603-91-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Thiazolamine, 4-methyl-(1603-91-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (15.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 2-Thiazolamine, 4-methyl-

2-Thiazolamine, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (15.2%)

Sicherheitsdaten

wgk: 3
hs_code: 29341000
risk_code: 36/37/38-36/37-22-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenThis study developed a series of novel 2-amino-4-methylthiazole analogues for combating Gram-positive bacterial, Gram-negative bacterial, and fungal infections[1]. 2-Amino-4-methylthiazole serves as a corrosion inhibitor for electrogalvanized steel in 0.1 M neutral NaCl solution[2].