エトキシジチオぎ酸

Ethyl xanthate

HCID 8823CAS 151-01-9

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=S)S
InChIKey: ZOOODBUHSVUZEM-UHFFFAOYSA-N
分子式: C3H6OS2
平均分子量: 122.21 g/mol
単同位体質量: 121.98600681

概要

structure in first source

名称と識別子

優先名称: Ethyl xanthate
IUPAC: ethoxymethanedithioic acid
現地名: エトキシジチオぎ酸
英語名: O-ethyl hydrogen dithiocarbonate
分子式: C3H6OS2
分子量: 122.21

名称と別名

ETHYLXANTHATEEthyl xanthogenateEthyl xanthateEthylxanthic acid151-01-9Ethoxydithioformic acidEthylxanthogenic acidXanthic acid, ethyl-O-Ethyl dithiocarbamateO-Ethyl dithiocarbonateXanthogenic acid, ethyl-Carbonic acid, dithio-, O-ethyl ester

名称をさらに表示

エトキシ(メルカプト)メタンチオンキサントゲン酸キサント酸エチルキサントゲン酸キサンタートキサントゲン酸エチルジチオ炭酸O-エチルジチオ炭酸エチルキサント酸エチルエトキシジチオぎ酸ジチオ炭酸水素O-エチルエチルキサンタートエチルキサントゲナートETHYLXANTHOGENATEBrn 1740597Einecs 205-780-8ethyl dithiocarbonateCarbonodithioic acid O-ethyl

B7B55M6MK1RefChem:596809205-780-8XanthateXanthogenic acidO-Ethyl hydrogen dithiocarbonateethoxymethanedithioic acidCarbonodithioic acid, O-ethyl ester

データベース識別子

CAS: 151-01-9
PubChem CID: 8823
DTXSID: DTXSID3045063
ChEMBL: CHEMBL3039661
UNII: B7B55M6MK1
EC Number: 205-780-8
Nikkaji: J5.860B

物性

構造計算による物性

XLogP: 1.7
極性表面積: 42.3 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: 2
重原子数: 6
形式電荷: 0
複雑度: 52.8

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds

Color/FormLIQUID

SolubilitySLIGHTLY SOL IN WATER

Melting PointFREEZING POINT -53 °C

Physical DescriptionLiquid; [HSDB]

Stability/Shelf LifeUNSTABLE

物理化学的性質

融点: 140 °C · 140 °C
沸点: 197.67 °C · 197.67°C (rough estimate)
比重(密度): 1.194 · 1.194 (estimate)
屈折率: 1.57 · 1.5700 (estimate)
酸解離定数(Pka): 3.19 · 3.19±0.60(Predicted)
EPAの化学物質情報: Carbonodithioic acid, O-ethyl ester (151-01-9)

安全と法規制

危険有害性情報

Hazards SummaryMay react with water or moisture producing carbon disulfide; [CAMEO] See Carbon disulfide.

安全と保護具

Cleanup MethodsXANTHATE REMOVAL BY OXIDATION ON POROUS CARBON GRAPHITE ANODES.

毒性情報

Interactions · 3 件

THE EFFECT OF POTASSIUM ETHYLXANTHOGENATE ON THE PENTOBARBITAL (40 MG/KG, BODY WT IV) SLEEPING TIME, PHARMACOKINETICS, AND METABOLISM WERE STUDIED IN COMPARATIVE EXPERIMENTS ON MALE ALBINO MICE. POTASSIUM ETHYLXANTHOGENATE CAUSED AN ALMOST TWO-FOLD DECR IN ELIMINATION RATE CONSTANT OF PLASMA PENTOBARBITAL. POTENTIATING EFFECT OF POTASSIUM ETHYLXANTHOGENATE ON PENTOBARBITAL SLEEPING TIME IS MAINLY DUE TO INHIBITION OF PENTOBARBITAL LIVER METABOLISM.

GAMMA-AMINOBUTYRIC ACID CONTAINING PREPN NOT ONLY RESTORE THE ETHYL XANTHATE-CAUSED PHYSIOLOGICAL AND BIOCHEMICAL METABOLIC CHANGES OF SOME BIOGENIC AMINES AND AMINO ACIDS BUT TO A DEFINITE DEGREE PREVENTED THE DEVELOPMENT OF THESE CHANGES IN ANIMALS.

INFLUENCE ON THE DRUG METABOLISM POTASSIUM ETHYLXANTHOGENATE ON THE ANILINE TOXICITY, METHEMOGLOBIN FORMATION AND ANILINE-HYDROXYLASE ACTIVITY INCR ANILINE TOXICITY IN WHITE MALE RATS AND INHIBITED ANILINE-HYDROXYLASE ACTIVITY.

Non-Human Toxicity Excerpts · 2 件

WHITE RATS CHRONICALLY EXPOSED BY INHALATION TO ETHYL XANTHATE REVEALED HIGHER FREQUENCY OF CHROMOSOMAL REARRANGEMENTS IN LYMPHOCYTES OF PERIPHERAL BLOOD THAN CONTROLS.

THE OBJECTIVE OF THIS STUDY WAS TO ESTABLISH THE 96 HR MEDIAN LETHAL CONCN OF ETHYLXANTHATE IN RAINBOW TROUT.

安全データ

tsca: TSCA listed
有毒物質データの: 151-01-9(Hazardous Substances Data)

化学と産業

薬理情報

MeSH Pharmacological ClassificationSubstances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

用途と製造

General Manufacturing Information · 2 件

Carbonodithioic acid, O-ethyl ester: INACTIVE

XANTHIC ACID: A SUBSTITUTED DITHIOCARBONIC ACID OF THE TYPE ROC(S)SH, IN WHICH R IS ORDINARILY AN ALKYL RADICAL. UNLESS OTHERWISE DESIGNATED, XANTHIC ACID IS UNDERSTOOD TO BE THE ETHYL DERIV, ALSO CALLED ETHYLXANTHIC ACID.

応用分野

解説キサントゲン酸．エチルキサントゲン酸カリウムに希硫酸を低温で作用させると得られる．液体．融点－53 ℃，分解点25 ℃．pKa 2.56(25 ℃)．水に難溶．分解点でエタノールと二硫化炭素になる．そのK塩は二硫化炭素とアルコール性カリとの反応で得られ，分解点210 ℃ の安定な結晶である．セルロースのヒドロキシ基から，同様の反応で得られるものはビスコースである．