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129623

2-巯基嘧啶

Name: 2-巯基嘧啶
Brand: ALDRICH

98%

别名:

2-嘧啶硫醇

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关于此项目

经验公式（希尔记法）:

C₄H₄N₂S

化学文摘社编号:

1450-85-7

分子量:

112.15

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24847918

EC Number:

215-917-3

Beilstein/REAXYS Number:

107105

MDL number:

MFCD00006073

Assay:

98%

Form:

powder

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属性

assay

98%

form

powder

mp

230 °C (dec.) (lit.)

SMILES string

Sc1ncccn1

InChI

1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)

InChI key

HBCQSNAFLVXVAY-UHFFFAOYSA-N

说明

Application

2-嘧啶硫醇已用于研究外消旋环状烯丙基碳酸酯和外消旋非环状烯丙基碳酸酯的高选择性钯催化动力学拆分。此外，它还用于研究氧化锌在充气水溶液中对2-嘧啶硫醇的光降解作用。

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Highly selective palladium catalyzed kinetic resolution and enantioselective substitution of racemic allylic carbonates with sulfur nucleophiles: asymmetric synthesis of allylic sulfides, allylic sulfones, and allylic alcohols.

Hans-Joachim Gais et al.

Chemistry (Weinheim an der Bergstrasse, Germany), 9(17), 4202-4221 (2003-09-04)

We describe the highly selective palladium catalyzed kinetic resolutions of the racemic cyclic allylic carbonates rac-1 a-c and racemic acyclic allylic carbonates rac-3 aa and rac-3 ba through reaction with tert-butylsulfinate, tolylsulfinate, phenylsulfinate anions and 2-pyrimidinethiol by using N,N'-(1R,2R)-1,2-cyclohexanediylbis[2-(diphenylphosphino)-benzamide] (BPA)

Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations.

V Krishnakumar et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 63(2), 454-463 (2005-07-02)

The molecular vibrations of 2-mercapto pyrimidine (MP) and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine (DAHNP) were investigated in polycrystalline sample, at room temperature, by Fourier transform infrared (FT-IR) and FT-Raman spectroscopics. In parallel, ab initio and various density functional (DFT) methods were used to

Reaction mechanism and tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution: a combined Monte Carlo and quantum mechanics study.

Maria Carolina P Lima et al.

The journal of physical chemistry. A, 110(22), 7253-7261 (2006-06-02)

A combined Monte Carlo and quantum mechanical study was carried out to analyze the tautomeric equilibrium of 2-mercaptopyrimidine in the gas phase and in aqueous solution. Second- and fourth-order Møller-Plesset perturbation theory calculations indicate that in the gas phase thiol

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全球贸易项目编号

货号	GTIN
129623-10G	04061838726414