O-에틸수소디티오카보네이트

Ethyl xanthate

HCID 8823CAS 151-01-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=S)S
InChIKey: ZOOODBUHSVUZEM-UHFFFAOYSA-N
분자식: C3H6OS2
평균 분자량: 122.21 g/mol
단동위원소 질량: 121.98600681

개요

structure in first source

이름 및 식별자

우선 이름: Ethyl xanthate
IUPAC: ethoxymethanedithioic acid
현지명: O-에틸수소디티오카보네이트
영어명: O-ethyl hydrogen dithiocarbonate
분자식: C3H6OS2
분자량: 122.21

이름 및 동의어

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

이름 더 보기

O-에틸수소디티오카보네이트ETHYLXANTHOGENATEBrn 1740597Einecs 205-780-8ethyl dithiocarbonateCarbonodithioic acid O-ethyl

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 42.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 52.8

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds

Color/FormLIQUID

SolubilitySLIGHTLY SOL IN WATER

Melting PointFREEZING POINT -53 °C

Physical DescriptionLiquid; [HSDB]

Stability/Shelf LifeUNSTABLE

물리화학적 성질

녹는점: 140 °C · 140 °C
끓는 점: 197.67 °C · 197.67°C (rough estimate)
밀도: 1.194 · 1.194 (estimate)
굴절률: 1.57 · 1.5700 (estimate)
산도 계수 (pKa): 3.19 · 3.19±0.60(Predicted)
EPA: Carbonodithioic acid, O-ethyl ester (151-01-9)

안전 및 규제

유해성 정보

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

안전 및 보호

Cleanup MethodsXANTHATE REMOVAL BY OXIDATION ON POROUS CARBON GRAPHITE ANODES.

독성 정보

Interactions · 3건

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 · 2건

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.

안전 데이터

tsca: TSCA listed
유해 물질 데이터: 151-01-9(Hazardous Substances Data)

화학 및 산업

약리 정보

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

용도 및 제조

General Manufacturing Information · 2건

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.