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5-[(3S)-二硫杂环戊烷-3-基]戊酸

CAS 1077-27-6C8H14O2S2MW 206.3

5-[(3S)-二硫杂环戊烷-3-基]戊酸(CAS 1077-27-6):分子式 C8H14O2S2、分子量 206.3。

产品概览

CAS号1077-27-6
分子式C8H14O2S2
分子量206.3
熔点60.5
沸点162.5
LogP2.1

技术档案

这个产品是什么

5-[(3S)-二硫杂环戊烷-3-基]戊酸 是一种化工化合物,登记 CAS 号为 1077-27-6,分子式 C8H14O2S2(分子量 206.3)。

识别信息

登记 CAS 号:1077-27-6

其分子式 C8H14O2S2 由 8 个碳、14 个氢、2 个氧、2 个硫 组成。

别名/同义词:5-[(3S)-二硫杂环戊烷-3-基]戊酸 · 5-[(3S)-Dithiolan-3-yl]pentanoic acid

常见问题

5-[(3S)-二硫杂环戊烷-3-基]戊酸 的 CAS 号是多少?

5-[(3S)-二硫杂环戊烷-3-基]戊酸 的 CAS 登记号为 1077-27-6。

5-[(3S)-二硫杂环戊烷-3-基]戊酸 的分子式与分子量是多少?

分子式 C8H14O2S2,分子量 206.3。

5-[(3S)-二硫杂环戊烷-3-基]戊酸 还有哪些别名?

别名/同义词:5-[(3S)-二硫杂环戊烷-3-基]戊酸、5-[(3S)-Dithiolan-3-yl]pentanoic acid。

PubChem 公开数据

5-[(3S)-二硫杂环戊烷-3-基]戊酸(CAS 1077-27-6)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number1077-27-6
PubChem CID445125
Molecular formulaC8H14O2S2
IUPAC name5-[(3S)-dithiolan-3-yl]pentanoic acid
UNII (FDA)J2Y905FQ57

计算分子描述符

Molecular Weight206.3
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass206.04352203
Monoisotopic Mass206.04352203
Topological Polar Surface Area87.9
Heavy Atom Count12

在册的理化数值

Boiling Point162.5
Melting Point60.5
Solubility2.24e-01 g/L
LogP2.1

在册的记载用途

    For nutritional supplementation, also for treating dietary shortage or imbalance.Paraoxonase (PON1) is a key enzyme in the metabolism of organophosphates. PON1 can inactivate some organophosphates through hydrolysis. PON1 hydrolyzes the active metabolites in several organophosphates insecticides as well as, nerve agents such as soman, sarin, and VX. The presence of PON1 polymorphisms causes there to be different enzyme levels and catalytic efficiency of this esterase, which in turn suggests that different individuals may be more susceptible to the toxic effect of OP exposure.

    同义词与商品名

    1077-27-6; (S)-lipoic acid; 5-[(3S)-dithiolan-3-yl]pentanoic acid; (S)-Thioctic Acid; (-)-Thioctic Acid; (S)-(-)-lipoic acid; Thioctic acid l-form; L-6-thioctic acid; 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid; L-6,8-thioctic acid; S-Lipoate; Thioctic acid, (-)-; L-1,2-dithiolane 3-valeric acid; s-(-)-alpha-lipoic acid; UNII-J2Y905FQ57; (S)-1,2-Dithiolane-3-pentanoic acid

    GHS 危害分类

    Reported hazard statementsH302 (100%)

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

    P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

    公开数据库对它的描述

    5-[(3S)-Dithiolan-3-yl]pentanoic acid · CAS 1077-27-6 · C8H14O2S2. UNII J2Y905FQ57. Boiling Point: 162.5; Melting Point: 60.5; Solubility: 2.24e-01 g/L.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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