HCID446094

D-1,4-Dithiothreitol

(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol

C4H10O2S2154.3 g/molCAS 16096-97-2

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O[C@H](CS)[C@H](O)CS
InChIKey: VHJLVAABSRFDPM-QWWZWVQMSA-N
分子式: C4H10O2S2
平均分子量: 154.3 g/mol
单同位素质量: 154.0122219

COMPUTED

结构计算性质

已同步

XLogP: -0.4
极性表面积: 42.5 Å²
氢键供体: 4
氢键受体: 4
可旋转键: 3
重原子: 8
形式电荷: 0
复杂度: 52

PROPERTIES

实验与物化性质

来源：PubChem

Physical Description

White powder with an unpleasant odor; [Alfa Aesar MSDS]

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (90.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazards Summary

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

Acute Tox. 4 (98.1%)；Skin Irrit. 2 (91.5%)；Eye Irrit. 2 (91.5%)；STOT SE 3 (90.6%)

Acute Tox. 4 (97.5%)；Acute Tox. 4 (95%)；Skin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (95%)

TOXICITY

毒理信息

来源：PubChem

Adverse Effects

Neurotoxin - Other CNS neurotoxin

ALIASES

名称与别名

共 90 条

(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOLD-1,4-DithiothreitolD-Dtt(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diolCHEBI:42170RefChem:937663GlyTouCan:G52301ZXG52301ZXDL-1,4-Dithiothreitoldl-Dithiothreitol27565-41-9(2S,3S)-1,4-disulfanylbutane-2,3-diol1,4-Dithio-dl-threitol35454-97-8MFCD00004877cis-2,3-Dihydroxy-1,4-butanedithiolDTT(+/-)-1,4-Dimercapto-2,3-butanediolDL-Dithiothreitol(DTT)M02712

REACTIONS