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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
215-917-3
Beilstein/REAXYS Number:
107105
MDL number:
Assay:
98%
Form:
powder
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
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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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
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