5-エチル-1,3,4-チアジアゾール-2-アミン

2-Amino-5-ethyl-1,3,4-thiadiazole

HCID 26444

基本情報

CAS: 14068-53-2
標準SMILES: CCc1nnc(N)s1
InChIKey: QXTRPGAMVIONMK-UHFFFAOYSA-N
分子式: C4H7N3S
平均分子量: 129.19 g/mol
単同位体質量: 129.03606822

概要

2-amino-5-ethyl-1,3,4-thiadiazole is a member of the class of thiadiazoles that is 1,3,4-thiadiazole substituted by an amino group at position 2 and an ethyl group at position 5 respectively. It is an aromatic amine and a member of thiadiazoles. It derives from a hydride of a 1,3,4-thiadiazole.

名称と識別子

優先名称: 2-Amino-5-ethyl-1,3,4-thiadiazole
IUPAC: 5-ethyl-1,3,4-thiadiazol-2-amine
現地名: 5-エチル-1,3,4-チアジアゾール-2-アミン
英語名: 2-Amino-5-ethyl-1,3,4-thiadiazole
分子式: C4H7N3S
分子量: 129.18

名称と別名

2-Amino-5-ethyl-1,3,4-thiadiazole14068-53-25-Ethyl-1,3,4-thiadiazol-2-amine1,3,4-Thiadiazol-2-amine, 5-ethyl-BRN 0113614EINECS 237-921-4NSC 757115-Ethyl-[1,3,4]thiadiazol-2-ylamineDTXSID50656994-27-00-08073 (Beilstein Handbook Reference)CHEBI:865405-Ethyl-(1,3,4)thiadiazol-2-ylamine

名称をさらに表示

5-エチル-1,3,4-チアジアゾール-2-アミン5-エチル-2-アミノ-1,3,4-チアジアゾール2-アミノ-5-エチル-1,3,4-チアジアゾールAKOS BBS-00004451IFLAB-BB F1918-00744-thiadiazol-2-amine,5-ethyl-34-thiadiazole,2-amino-5-ethyl-32-Amino-5-ethyl-1,5,4-thiadiazole5-Ethyl-2-amino-1,3,4-thiadiazole

RefChem:85267DTXCID1034559237-921-4QXTRPGAMVIONMK-UHFFFAOYSA-NMFCD000031111,3,4-THIADIAZOLE, 2-AMINO-5-ETHYL-bmse000176NSC-75711

データベース識別子

CAS: 14068-53-2
PubChem CID: 26444
DTXSID: DTXSID5065699
ChEMBL: CHEMBL568688
ChEBI: CHEBI:86540
UNII: N859FE3PD7
EC Number: 237-921-4
Nikkaji: J216.854E

物性

構造計算による物性

XLogP: 0.9
極性表面積: 80 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 77.7

物理化学的性質

融点: 200 · 200-203 °C (lit.)
沸点: 267.2 · 267.2±23.0 °C(Predicted)
比重(密度): 1.22 · 1.220 (estimate)
屈折率: 1.58 · 1.5800 (estimate)
貯蔵温度: 2 · 2-8°C(protect from light)
酸解離定数(Pka): 3.73 · 3.73±0.10(Predicted)
外見: 個体
BRN: 113614 · 113614
InChI: 1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey: QXTRPGAMVIONMK-UHFFFAOYSA-N
SMILES: CCc1nnc(N)s1
CAS データベース: 14068 · 14068-53-2(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,3,4-Thiadiazol-2-amine, 5-ethyl- (14068-53-2)

化学的性質

化学的特性LIGHT BEIGE CRYSTALLINE POWDER

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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: XI3095000
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36/37/39-22-24/25
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information1,3,4-Thiadiazol-2-amine, 5-ethyl-: ACTIVE

応用分野

使用2-Amino-5-ethyl-1,3,4-thiadiazole was used in the synthesis of:3-(5-ethyl-1,3,4-thiadiazol-2-yldiazenyl)-1-methyl-2-phenyl-1H-indolehetarylazoindole dyesN-(5-ethyl-[1,3,4]-thiadiazole-2-yl) toluenesulfonamide ligand

一般的な説明Influence of 2-amino-5-ethylthio-1,3,4-thiadiazole on inhibition of copper corrosion in an aerated 0.50M HCl solution has been investigated using gravimetric and electrochemical techniques.

上流・下流製品情報

下流製品

2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

サプライヤー84 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

補足説明

定義ChEBI: A member of the class of thiadiazoles that is 1,3,4-thiadiazole substituted by an amino group at position 2 and an ethyl group at position 5 respectively.