129623
2-Mercaptopyrimidine
98%
Synonym(s):
2-Pyrimidinethiol
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About This Item
Empirical Formula (Hill Notation):
C4H4N2S
CAS Number:
Molecular Weight:
112.15
Beilstein:
107105
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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
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
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
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)
Josefa Angela García Calzón et al.
Journal of colloid and interface science, 290(2), 498-504 (2005-06-15)
The oxidation process induced by 2-mercaptopyrimidine (RSH) at a hanging mercury drop electrode was studied in aqueous media by normal and cyclic voltammetry. The results indicate the formation of a weakly adsorbed HgSR complex according to the reaction Hg+RSH-->HgSR+e(-)+H+. When
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