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
Certificates of Analysis (COA)
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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
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
Barbara Cosimelli et al.
Journal of medicinal chemistry, 54(15), 5597-5601 (2011-07-01)
We report the preliminary in vitro characterization of a series of pyrimidines as a new chemotype that modulates cardiovascular parameters and relaxes ileum smooth muscle according to classical calcium entry blockers. Tested compounds showed an interesting negative inotropic selectivity. In
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