233625
2-Thiocytosine
97%
Sinónimos:
4-Amino-2-mercaptopyrimidine, 4-Amino-2-thiopyrimidine
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About This Item
Fórmula empírica (notación de Hill):
C4H5N3S
Número de CAS:
Peso molecular:
127.17
Beilstein/REAXYS Number:
112435
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
assay
97%
mp
285-290 °C (dec.) (lit.)
SMILES string
NC1=NC(=S)NC=C1
InChI
1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
InChI key
DCPSTSVLRXOYGS-UHFFFAOYSA-N
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General description
2-Thiocytosine is a potential antileukemic and anticancer agent. 2-Thiocytosine in solid state has been investigated by (1)H-(14)N NMR-NQR double resonance (NQDR) spectroscopy and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT).
Application
2-Thiocytosine has been used to investigate the reactions involved in hole transfer (HT) in X-irradiated doped cytosine monohydrate.
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Los clientes también vieron
Jolanta N Latosińska et al.
Journal of molecular modeling, 18(1), 11-26 (2011-03-30)
A potential antileukemic and anticancer agent, 2-thiocytosine (2-TC), has been studied experimentally in the solid state by (1)H-(14)N NMR-NQR double resonance (NQDR) and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT). Eighteen resonance frequencies on
Determination of thiocytosine using its enhancement effect on the copper anodic stripping wave.
R B Diez-Caballero et al.
The Analyst, 113(7), 1047-1050 (1988-07-01)
Theoretical and matrix-isolation experimental studies on 2-thiocytosine and 5-fluoro-2-thiocytosine.
H Rostkowska et al.
Biochimica et biophysica acta, 1172(3), 239-246 (1993-03-20)
2-Thiocytosine (s2Cyt) and 5-fluoro-2-thiocytosine (f5s2Cyt) were studied by means of IR spectroscopy under different environmental conditions: isolated in low-temperature inert gas matrices, associated in thin amorphous and polycrystalline films. The compounds isolated in matrices were only very slightly influenced by
André Krivokapić et al.
The journal of physical chemistry. A, 112(16), 3597-3606 (2008-03-18)
Following exposure to X-irradiation at low temperatures, the main reactions taking place in single crystals of cytosine monohydrate doped with minute amounts of 2-thiocytosine are hole transfer (HT) from the electron-loss centers to the dopant and recombination of oxidation and
Sebastian Mai et al.
The journal of physical chemistry. B, 121(20), 5187-5196 (2017-04-30)
The solvatochromic effects of six different solvents on the UV absorption spectrum of 2-thiocytosine have been studied by a combination of experimental and theoretical techniques. The steady-state absorption spectra show significant shifts of the absorption bands, where in more polar
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