2-Amino-4-methylthiazole (HCID 74143)

名称と識別子

優先名称: 2-Amino-4-methylthiazole
IUPAC: 4-methyl-1,3-thiazol-2-amine
現地名: 2-アミノ-4-メチルチアゾール
英語名: 2-Amino-4-methylthiazole
分子式: C4H6N2S
分子量: 114.17

名称と別名

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

名称をさらに表示

2-アミノ-4-メチルチアゾール4-メチル-チアゾール-2-アミン4-メチルチアゾール-2-アミン4-メチル-2-チアゾールアミン2アミノ4メチルチアゾ-ル2‐アミノ‐4‐メチルチアゾール2-アミノ-4-メチル-1,3-チアゾール4-メチル-1,3-チアゾール-2-アミン24TTIMTEC-BB SBB004307Mirabelon Impurity 45AMino-4-MethylthiazoleLABOTEST-BB LT000806444-metyl-2-thiazolamine

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

データベース識別子

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

物性

構造計算による物性

XLogP: 1
極性表面積: 67.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 66.7

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

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

物理化学的性質

融点: 44 · 44-47 °C (lit.)
沸点: 231 · 231-232 °C (lit.)
比重(密度): 1.176 · 1.176 (estimate)
屈折率: 1.5 · 1.5000 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: soluble in Methanol
外見: 個体
酸解離定数(Pka): 5.36 · 5.36±0.10(Predicted)
色: White to Yellow to Green
水溶解度: 溶ける
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 データベース: 1603 · 1603-91-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Thiazolamine, 4-methyl-(1603-91-4)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk: 3
hs_code: 29341000
risk_code: 36/37/38-36/37-22-20/21/22
化審法: (5)-203
hazard_code: Xi,Xn
safety_code: 26-36-39
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用This 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].