2-アミノ-6-メチルベンゾチアゾール

2-Amino-6-methylbenzothiazole

HCID 17335CAS 2536-91-6

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc2nc(N)sc2c1
InChIKey: DZWTXWPRWRLHIL-UHFFFAOYSA-N
分子式: C8H8N2S
平均分子量: 164.23 g/mol
単同位体質量: 164.04081926

名称と識別子

優先名称: 2-Amino-6-methylbenzothiazole
IUPAC: 6-methyl-1,3-benzothiazol-2-amine
現地名: 2-アミノ-6-メチルベンゾチアゾール
英語名: 2-Amino-6-methylbenzothiazole
分子式: C8H8N2S
分子量: 164.23

名称と別名

2-Amino-6-methylbenzothiazole2536-91-66-Methyl-1,3-benzothiazol-2-amine2-Benzothiazolamine, 6-methyl-6-Methyl-2-aminobenzothiazole6-Methyl-2-benzothiazolylamineBENZOTHIAZOLE, 2-AMINO-6-METHYL-2-Methylbenzothiazol-2-amine6-Methyl-2-benzothiazolamineSKF 1045NSC 127602-Amino-6-methyl-benzothiazole

名称をさらに表示

2-アミノ-6-メチルベンゾチアゾール6-メチル-2-ベンゾチアゾールアミン6-メチル-2-アミノベンゾチアゾール6-メチルベンゾチアゾール-2-アミン2-アミノ-6-メチルベンゾチアゾ-ル6-メチル-1,3-ベンゾチアゾール-2-アミン6-メチルベンゾ[D]チアゾール-2-アミン6-METHYLBENZO[D]THIAZOL-2-AMINEAURORA 18562ASISCHEM C58427AKOS BBS-00005695IFLAB-BB F1386-0393TIMTEC-BB SBB000152Amino-6-methylbenzothiazole2-Amino-6-methylbenzthiazol

6-Methylbenzothiazol-2-ylamineNSC 118944EINECS 219-801-3BRN 0122040NSC-127606-methyl-1,3-benzothiazol-2-ylamine8372J8V89NNSC-118944

データベース識別子

CAS: 2536-91-6
PubChem CID: 17335
DTXSID: DTXSID0062501
ChEMBL: CHEMBL94512
UNII: 8372J8V89N
EC Number: 219-801-3
Nikkaji: J36.087B

物性

構造計算による物性

XLogP: 2.4
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: 11
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 140 · 140-142 °C (lit.)
沸点: 322 · 322.0±35.0 °C(Predicted)
比重(密度): 1.1724 · 1.1724 (rough estimate)
屈折率: 1.57 · 1.5700 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: soluble in Methanol
外見: powder to crystalline
酸解離定数(Pka): 4.41 · 4.41±0.10(Predicted)
色: White to Orange to Green
CAS データベース: 2536 · 2536-91-6(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Benzothiazolamine, 6-methyl-(2536-91-6)
EPAの化学物質情報: 2 · 2-Benzothiazolamine, 6-methyl- (2536-91-6)

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

H315 (100%): 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 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 InformationChemical: 2-Benzothiazolamine, 6-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DL2625000
hs_code: 29342000
risk_code: 36/37/38
化審法: (5)-235
hazard_code: Xi
safety_code: 26-37/39

化学と産業

用途と製造

General Manufacturing Information2-Benzothiazolamine, 6-methyl-: INACTIVE

応用分野

使用2-Amino-6-methylbenzothiazole was used in the preparation of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-[2-(substituted phenyl/furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]nicotinamides.

一般的な説明The anti-tetanus activity of 2-amino-6-methylbenzothiazole, a muscle relactant, was studied.