2,3-ジヒドロキシ-1,4-ブタンジチオール

1,4-Dimercapto-2,3-butanediol

HCID 19001

基本情報

CAS: 3483-12-3
標準SMILES: OC(CS)C(O)CS
InChIKey: VHJLVAABSRFDPM-UHFFFAOYSA-N
分子式: C4H10O2S2
平均分子量: 154.3 g/mol
単同位体質量: 154.01222156

概要

1,4-dithiothreitol is the threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. It has a role as a chelator, a reducing agent and a human metabolite. It is a dithiol and a 1,4-dimercaptobutane-2,3-diol.

名称と識別子

優先名称: 1,4-Dimercapto-2,3-butanediol
IUPAC: 1,4-bis(sulfanyl)butane-2,3-diol
現地名: 2,3-ジヒドロキシ-1,4-ブタンジチオール
英語名: 1,4-dimercaptobutane-2,3-diol
分子式: C4H10O2S2
分子量: 154.25

名称と別名

1,4-Dimercaptobutane-2,3-diol7634-42-62,3-Butanediol, 1,4-dimercapto-1,4-dimercapto-2,3-butanediolCHEBI:25189DTXSID80859811RefChem:416804GlyTouCan:G05560BADTXCID10209709G05560BA231-563-2dl-Dithiothreitol

名称をさらに表示

2,3-ジヒドロキシ-1,4-ブタンジチオール1,4-ジメルカプト-2,3-ブタンジオール1,4-ジメルカプトブタン-2,3-ジオールdiothiothreitol

1,4-bis(sulfanyl)butane-2,3-diol1,4-Dithio-dl-threitol1,4-disulfanylbutane-2,3-diolrac-DithiothreitolDL-2,3-Dihydroxy-1,4-butanedithiol1,4-Bissulfanylbutane-2,3-diol16096-97-227565-41-9

データベース識別子

CAS: 3483-12-3、7634-42-6
PubChem CID: 19001
DTXSID: DTXSID80859811
ChEMBL: CHEMBL47903
ChEBI: CHEBI:18320
EC Number: 231-563-2
Nikkaji: J307.897C

物性

構造計算による物性

XLogP: -0.4
極性表面積: 42.5 Å²
水素結合供与体数: 4
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 8
形式電荷: 0
複雑度: 52

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds (Alcohols)

Physical DescriptionWhite powder with an unpleasant odor; [Alfa Aesar MSDS]

物理化学的性質

EPAの化学物質情報: 2 · 2,3-Butanediol, 1,4-dimercapto- (7634-42-6)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (98.1%): 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 106 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Hazards Summary · 1 件

Causes change in righting reflex and alteration of operant conditioning in acute intraperitoneal studies of rats; Intraperitoneal LD50 (mouse) = 169 mg/kg; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See 1,4-Dithiothreitol.

Hazard Classes and Categories · 3 件

Acute Tox. 4 (100%)

Acute Tox. 4 (98.1%)

Acute Tox. 4 (97.5%)