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129623

2-Mercaptopyrimidine

Name: 2-Mercaptopyrimidine
Brand: ALDRICH

98%

Synonym(s):

2-Pyrimidinethiol

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About This Item

Empirical Formula (Hill Notation):

C₄H₄N₂S

CAS Number:

1450-85-7

Molecular Weight:

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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Properties

Quality Level

100

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

Description

Application

2-Pyrimidinethiol has been used to study the highly selective palladium catalyzed kinetic resolutions of the racemic cyclic allylic carbonates and racemic acyclic allylic carbonates. It has also been used to study the photodegradation of 2-pyrimidinethiol in aerated aqueous solution using zinc oxide.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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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

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)

Photodegradation kinetics of some thiols and thiones in aqueous suspension of zinc oxide.

Morteza Montazerozohori et al.

Annali di chimica, 96(5-6), 285-292 (2006-07-22)

Photodegradation of several thiols and thiones including 2-pyrimidinethiol, thiazolidine-2-thione, imidazolidine-2-thione, 1,2,4- triazole 3-thiol and 2,5-dimercapto- 1,3,4-thiadiazole have been studied in aerated aqueous solution using zinc oxide under irradiation with 400W high pressure mercury lamp. Rate constants span the range from

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