S-Nitrosomercaptoethanol
基本情報
- CAS
67616-44-8- 標準SMILES
O=NSCCO- InChIKey
AVGNNQMFRRYDBY-UHFFFAOYSA-N- 分子式
- C2H5NO2S
- 平均分子量
- 107.13 g/mol
- 単同位体質量
- 107.00409958
概要
A sulfur-containing alkyl thionitrite that is a nitric oxide donor. It is an anti-infective agent and inhibits Bacillus cereus spore outgrowth.
名称と識別子
- 優先名称
- S-Nitrosomercaptoethanol
- IUPAC
- 2-nitrososulfanylethanol
- 英語名
- S-nitrosomercaptoethanol
- 分子式
- C2H5NO2S
- 分子量
- 107.13
名称と別名
S-Nitrosomercaptoethanol2-Mercaptoethanol thionitriteCCRIS 209667616-44-8Thionitrous acid, S-(2-hydroxyethyl) esterDTXSID00217934RefChem:180707DTXCID501404252-(Nitrososulfanyl)ethan-1-olS-nitroso-2-mercaptoethanolSCHEMBL319965G52557EEA6
名称をさらに表示
Thionitrous acid (HNOS), S-(2-hydroxyethyl) ester
データベース識別子
- CAS
67616-44-8- PubChem CID
- 108022
- DTXSID
DTXSID00217934- UNII
- G52557EEA6
- Nikkaji
- J630.100B
物性
構造計算による物性
- XLogP
- -0.5
- 極性表面積
- 75 Ų
- 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
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 40.5
物理化学的性質
- 沸点
- 215.6 · 215.6±42.0 °C(Predicted)
- 比重(密度)
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 13.82 · 13.82±0.10(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
A diverse group of agents, with unique chemical structures and biochemical requirements, which generate NITRIC OXIDE. These compounds have been used in the treatment of cardiovascular diseases and the management of acute myocardial infarction, acute and chronic congestive heart failure, and surgical control of blood pressure. (Adv Pharmacol 1995;34:361-81)
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