2,5-디하이드록시-1,4-디티안

1,4-Dithiane-2,5-diol

HCID 98330CAS 40018-26-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
OC1CSC(O)CS1
InChIKey
YUIOPHXTILULQC-UHFFFAOYSA-N
분자식
C4H8O2S2
평균 분자량
152.2 g/mol
단동위원소 질량
151.9965715

개요

1,4-Dithiane-2,5-diol is a member of dithianes.

이름 및 식별자

우선 이름
1,4-Dithiane-2,5-diol
IUPAC
1,4-dithiane-2,5-diol
현지명
2,5-디하이드록시-1,4-디티안
영어명
2,5-Dihydroxy-1,4-dithiane
분자식
C4H8O2S2
분자량
152.24

이름 및 동의어

1,4-Dithiane-2,5-diol40018-26-62,5-Dihydroxy-1,4-dithianeR4F79F1JB0NSC-106280FEMA NO. 3826DTXSID90865983RefChem:444434DTXCID80814329254-751-6p-Dithiane-2,5-diolMercaptoacetaldehyde dimer
이름 더 보기
1,4-디티안-2,5-디올2,5-디하이드록시-1,4-디티안1,4-디티안-2,5-디올(1,4-DITHIANE-2,5-DIOL)1,4-다이테인-2,5-다이올DITHIANEDHDTFEMA 38261,4-dithane-2,5-diol1,4-Dithiane-2,5-dioMERCATOACETALDEHYDE DIMERNSC 1062804-dithiane
MFCD000066594-dithiane-2,5-diol[1,4]dithiane-2,5-diol2,5-Dihydroxy-1,4-dithianDithianUNII-R4F79F1JB0EINECS 254-751-6mercapto acetaldehyde

데이터베이스 식별자

CAS
40018-26-6
PubChem CID
98330
DTXSID
DTXSID90865983
ChEBI
CHEBI:179581
UNII
R4F79F1JB0
EC Number
254-751-6
Nikkaji
J68.173C

물성

구조 계산 물성

XLogP
0.3
극성 표면적
91.1 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 3건

slightly

slightly soluble in water; soluble in alcohol

(in ethanol)

Melting Point130.00 °C. @ 760.00 mm Hg
Physical Descriptionwhite to off-white powder

물리화학적 성질

녹는점
130 °C · 130 °C (dec.) (lit.)
끓는 점
244.73 °C · 244.73°C (rough estimate)
밀도
1.224 · 1.224 (estimate)
증기압
0 Pa · 0Pa at 25℃
굴절률
1.52 · 1.5200 (estimate)
FEMA
3826 · 3826 | 2,5-DIHYDROXY-1,4-DITHIANE

화학적 성질

2,5-Dihydroxy-1,4-dithiane has a sulfurous, meaty, toasted bread-like odor

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1439 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 1,4-Dithiane-2,5-diol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 17-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19050

2,5-Dihydroxy-1,4-dithiane: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)

안전 데이터

wgk
2
ridadr
UN2811
HS 번호
29349990
risk_code
22-41-43-52/53-36/37/38
hazard_code
Xn,Xi
safety_code
26-36/37/39-61-37/39-24-36

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야 · 2건

용도1,4-Dithiane-2,5-diol is a hydroxylated dithiane derivative with phytogrowth-inhibitory and antibacterial activities.

일반 설명1,4-Dithiane-2,5-diol undergoes bifunctional squaramide catalyzed sulfa-Michael/aldol cascade reaction with chalcones to afford trisubstituted tetrahydrothiophenes. It participates in diastereoselective [3+3] cycloaddition with azomethine imines catalyzed by 1,4-diazabicyclo[2.2.2]octane. It is a mercaptoacetaldehyde dimer and an efficient synthon for incorporating a thiol group to in situ generated nitroalkenes.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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