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디에탄올-디티오카르바메이트

Diethyldithiocarbamic Acid

HCID 8987
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
147-84-2
표준 SMILES
CCN(CC)C(=S)S
InChIKey
LMBWSYZSUOEYSN-UHFFFAOYSA-N
분자식
C5H11NS2
평균 분자량
149.3 g/mol
단동위원소 질량
149.0332917

개요

Diethyldithiocarbamic acid is a member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur. It has a role as a copper chelator and a chelator. It is a conjugate acid of a diethyldithiocarbamate.

이름 및 식별자

우선 이름
Diethyldithiocarbamic Acid
IUPAC
diethylcarbamodithioic acid
현지명
디에탄올-디티오카르바메이트
영어명
DIETHANOL-DITHIOCARBAMATE
분자식
C5H11NS2
분자량
149.28

이름 및 동의어

DitiocarbDiethyldithiocarbamic acidDiethylcarbamodithioic acid147-84-2DiethyldithioneDiethyl dithiocarbamateCarbamodithioic acid, diethyl-Carbamic acid, diethyldithio-Diecadiethyl[sulfanyl(carbonothioyl)]amineDiethyldithiocarbaminic acidDTXSID3045017
이름 더 보기
디에탄올-디티오카르바메이트DIETHYLDITHIOCARBAMATEDEDTCN,N-DIETHYLDITHIOCARBAMATEDiethyldithiocarbamicaciDIETHANOL-DITHIOCARBAMATEN,N-Diethyldithiocarbamicacid
CHEBI:14435399Z2744345diethyl(sulfanyl(carbonothioyl))amineDiethyldioneLead Salt DitiocarbZinc Salt DitiocarbBismuth Salt DitiocarbAmmonium Salt Ditiocarb

데이터베이스 식별자

CAS
147-84-2
PubChem CID
8987
DTXSID
DTXSID3045017
ChEMBL
CHEMBL961

물성

구조 계산 물성

XLogP
1.6
극성 표면적
36.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
8
형식 전하
0
복잡도
78.5

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Metabolite of Disulfiram

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
143 · 143-144 °C
끓는 점
176.4 · 176.4±23.0 °C(Predicted)
밀도
1.079 · 1.079 (estimate)
굴절률
1.53 · 1.5300 (estimate)
산도 계수 (pKa)
5.42 · 5.42±0.60(Predicted)
EPA
Carbamodithioic acid, diethyl- (147-84-2)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

tsca
TSCA listed
독성
Has been used as an immomodulator and as a chelating agent for treatment of nickel and cadmium poisoning and has also been used as a pesticide. Diethyldithiocarbamate is a metabolite of disulfiram produced by disulfide reduction and is further metabolized to either a methyl ester or an S-glucuronide.

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

용도 및 제조

General Manufacturing InformationCarbamodithioic acid, N,N-diethyl-: INACTIVE

응용 분야

용도N,N-Diethyldithiocarbamic Acid is a metabolite of Disulfiram (D493640). The acid is a known inhibitor of superoxide dismutase, this agent can either potentiate or protect against cell oxidative damage caused by ionizing radiation

상·하류 제품 정보

하류 제품

메틸디에틸디티오카바메이트

공급사9 곳

관련 반응

5건
반응 기록 만들기
HRID 623332 반응식
HRID 623332반응물로uspto-grants-2016_04
HRID 623333 반응식
HRID 623333반응물로uspto-grants-2016_04
HRID 623334 반응식
HRID 623334반응물로uspto-grants-2016_04
HRID 1644132 반응식
HRID 1644132반응물로uspto-grants-2012_02
HRID 2400231 반응식
HRID 2400231반응물로uspto-grants-2014_08

화합물 노트

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ChEBI
CHEBI:144353
UNII
99Z2744345
EC Number
205-701-7
Nikkaji
J5.841F
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