5-(エチルチオ)-1,3,4-チアジアゾール-2-アミン

1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-

HCID 101459

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 25660-70-2
標準SMILES: CCSc1nnc(N)s1
InChIKey: VWRHSNKTSSIMGE-UHFFFAOYSA-N
分子式: C4H7N3S2
平均分子量: 161.3 g/mol
単同位体質量: 161.00813958

名称と識別子

優先名称: 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-
IUPAC: 5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
現地名: 5-(エチルチオ)-1,3,4-チアジアゾール-2-アミン
英語名: 2-Amino-5-ethylthio-1,3,4-thiadiazole
分子式: C4H7N3S2
分子量: 161.25

名称と別名

25660-70-25-(Ethylthio)-1,3,4-thiadiazol-2-amine2-Amino-5-ethylthio-1,3,4-thiadiazole1,3,4-Thiadiazol-2-amine, 5-(ethylthio)-9LN2D4YF1EEINECS 247-169-9UNII-9LN2D4YF1ENSC 522480NSC-5224805-Amino-2-(ethylthio)-1,3,4-thiadiazoleDTXSID60671212-AMINO-5-ETHYLSULFANYL-1,3,4-THIADIAZOLE

名称をさらに表示

2-アミノ-5-(エチルチオ)-1,3,4-チアジアゾール5-エチルチオ-1,3,4-チアジアゾール-2-アミン5-(エチルチオ)-1,3,4-チアジアゾール-2-アミン2-アミノ-5-エチルチオ-1,3,4-チアジアゾールAURORA 22845AKOS BBS-00007999IFLAB-BB F1386-0086LABOTEST-BB LT000807394-thiadiazol-2-amine,5-(ethylthio)-32-AMINO-5-THIOETHYL-1,3,4-THIADIAZOLE5-AMINO-1,3,4-THIODIAZOLE-2-ETHANETHIOL5-(ethylthio)-1,3,4-thiadiazole-2-amine

RefChem:72247DTXCID1037353InChI=1/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6VWRHSNKTSSIMGE-UHFFFAOYSA-N2-Amino-5-(ethylthio)-1,3,4-thiadiazole5-(Ethylsulfanyl)-1,3,4-thiadiazol-2-amine5-ethylsulfanyl-1,3,4-thiadiazol-2-amineMFCD00040401

データベース識別子

CAS: 25660-70-2
PubChem CID: 101459
DTXSID: DTXSID6067121
ChEMBL: CHEMBL572180
ChEBI: CHEBI:194786
UNII: 9LN2D4YF1E
EC Number: 247-169-9
Nikkaji: J113.044G

物性

構造計算による物性

XLogP: 1.2
極性表面積: 105 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 9
形式電荷: 0
複雑度: 89

物理化学的性質

融点: 135 · 135-137 °C(lit.)
比重(密度): 1.328 · 1.328 (estimate)
屈折率: 1.58 · 1.5800 (estimate)
外見: 個体
InChI: 1S/C4H7N3S2/c1-2-8-4-7-6-3(5)9-4/h2H2,1H3,(H2,5,6)
InChIKey: VWRHSNKTSSIMGE-UHFFFAOYSA-N
SMILES: CCSc1nnc(N)s1
CAS データベース: 25660 · 25660-70-2(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,3,4-Thiadiazol-2-amine, 5-(ethylthio)- (25660-70-2)

化学的性質

化学的特性YELLOW FINE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (20%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29349990
risk_code: 36/37/38-20/22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 24/25-23
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-(ethylthio)-: INACTIVE

応用分野

一般的な説明2-Amino-5-(ethylthio)-1,3,4-thiadiazole is an inhibitor of copper corrosion. Effect of 2-amino-5-ethylthio-1,3,4-thiadiazole on the copper corrosion in aerated HCl solution has been investigated.