[(5-アミノ-1,3,4-チアジアゾール-2-イル)チオ]酢酸エチル

Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

HCID 351912

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 32418-24-9
標準SMILES: CCOC(=O)CSc1nnc(N)s1
InChIKey: IYLGYUIQSDVGCP-UHFFFAOYSA-N
分子式: C6H9N3O2S2
平均分子量: 219.3 g/mol
単同位体質量: 219.01361889

名称と識別子

優先名称: Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
IUPAC: ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
現地名: [(5-アミノ-1,3,4-チアジアゾール-2-イル)チオ]酢酸エチル
英語名: Ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetate
分子式: C6H9N3O2S2
分子量: 219.28

名称と別名

ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetateethyl 2-((5-amino-1,3,4-thiadiazol-2-yl)sulfanyl)acetateRefChem:593573869-097-232418-24-9Ethyl 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)acetateethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetateEthyl [(5-amino-1,3,4-thiadiazol-2-yl)thio]acetateMFCD00173723Acetic acid,2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl esterethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetateethyl 2-(5-amino-1,3,4-thiadiazol-2-ylthio)acetate

名称をさらに表示

[(5-アミノ-1,3,4-チアジアゾール-2-イル)チオ]酢酸エチルAcetic acid, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-, ethyl ester

NSC523973Ethyl [(5-amino-1,3,4-thiadiazol-2-yl)sulphanyl]acetateMaybridge1_000140MixCom1_000272MLS000057768SCHEMBL999575CHEMBL1330444DTXSID90326105

データベース識別子

CAS: 32418-24-9
PubChem CID: 351912
DTXSID: DTXSID90326105
ChEMBL: CHEMBL1330444
EC Number: 869-097-2

物性

構造計算による物性

XLogP: 1.2
極性表面積: 132 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 5
重原子数: 13
形式電荷: 0
複雑度: 181

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.